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CAS Number

313254-51-2

Synonyms

2,2-Diphenyl-N-[4- (thiazol-2-ylsulfamoyl

Purity

=98%

Smiles

O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)C(c1ccccc1)c1ccccc1

Chemical Information

2,2-Diphenyl-N-(4-(1,3-thiazol-2-ylsulfamoyl)phenyl)acetamide

CAS Number	313254-51-2
PubChem CID	998021
IUPAC Name	2,2-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
Molecular Formula	C23H19N3O3S2
Molecular Weight	449.5
XLogP	3.2
Topological Polar Surface Area	125
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	31
Formal Charge	0
Complexity	659

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4

InChI

InChI=1S/C23H19N3O3S2/c27-22(21(17-7-3-1-4-8-17)18-9-5-2-6-10-18)25-19-11-13-20(14-12-19)31(28,29)26-23-24-15-16-30-23/h1-16,21H,(H,24,26)(H,25,27)

InChIKey

URSQNPPONHUJDL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 313254-51-2

CID: 998021

Formula: C23H19N3O3S2

MW: 449.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	449.5
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	449.08678382
Monoisotopic Mass	449.08678382
Topological Polar Surface Area	125 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	659
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