BRD-6929

CAT: 0926-ZIB23464-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-ZIB23464-01Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

849234-64-6

MDL Number

MFCD16495786

Smiles

CC (=O) NC1=CC=C (C=C1) C (=O) NC2=C (C=CC (=C2) C3=CC=CS3) N

Molecular Formula

C19H17N3O2S

Molecular Weight

351.42 g/mol

Controlled

Chemical Information

HDAC inhibitor, Compound 1

4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide is a member of benzamides.

CAS Number	849234-64-6
PubChem CID	6918878
IUPAC Name	4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
Molecular Formula	C19H17N3O2S
Molecular Weight	351.4
XLogP	2.6
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	479

SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N

InChI

InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)

InChIKey

ABZSPJVXTTUFAA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 849234-64-6

CID: 6918878

Formula: C19H17N3O2S

MW: 351.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	351.4
XLogP3	2.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	351.10414797
Monoisotopic Mass	351.10414797
Topological Polar Surface Area	112 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	479
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes