2-[N-(benzenesulfonyl)-3-cyanoanilino]-N-(2-phenylphenyl)acetamide

C27H21N3O3S — CID 47013285

IUPAC2-[N-(benzenesulfonyl)-3-cyanoanilino]-N-(2-phenylphenyl)acetamide
SMILESN#Cc1cccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C27H21N3O3S/c28-19-21-10-9-13-23(18-21)30(34(32,33)24-14-5-2-6-15-24)20-27(31)29-26-17-8-7-16-25(26)22-11-3-1-4-12-22/h1-18H,20H2,(H,29,31)
InChIKeyYBXWFCXSOORWKT-UHFFFAOYSA-N
MW467.55 g/mol
LogP5.06
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3-cyanoanilino]-N-(2-phenylphenyl)acetamide

2-[N-(benzenesulfonyl)-3-cyanoanilino]-N-(2-phenylphenyl)acetamide (PubChem CID 47013285) has the molecular formula C27H21N3O3S and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-cyanoanilino]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-cyanoanilino]-N-(2-phenylphenyl)acetamide
PubChem CID47013285
Molecular FormulaC27H21N3O3S
Molecular Weight467.55 g/mol
Exact Mass467.13
IUPAC Name2-[N-(benzenesulfonyl)-3-cyanoanilino]-N-(2-phenylphenyl)acetamide
SMILESN#Cc1cccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C27H21N3O3S/c28-19-21-10-9-13-23(18-21)30(34(32,33)24-14-5-2-6-15-24)20-27(31)29-26-17-8-7-16-25(26)22-11-3-1-4-12-22/h1-18H,20H2,(H,29,31)
InChIKeyYBXWFCXSOORWKT-UHFFFAOYSA-N
XLogP5.06
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-phenylphenyl)acetamide
CID 126129468
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylphenyl)acetamide
CID 126139478
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-phenylphenyl)acetamide
CID 1314109
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(2-phenylphenyl)acetamide
CID 126134173
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-phenylphenyl)acetamide
CID 126123999
N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 25497895
2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 51333753
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(2-phenylphenyl)acetamide
CID 126130122
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 4541167
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide
CID 1314332
2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide
CID 126415624
2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26564864

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-cyanoanilino]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-cyanoanilino]-N-(2-phenylphenyl)acetamide (CID 47013285) is 2-[N-(benzenesulfonyl)-3-cyanoanilino]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-cyanoanilino]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-cyanoanilino]-N-(2-phenylphenyl)acetamide is N#Cc1cccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-cyanoanilino]-N-(2-phenylphenyl)acetamide?
The InChIKey is YBXWFCXSOORWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3S/c28-19-21-10-9-13-23(18-21)30(34(32,33)24-14-5-2-6-15-24)20-27(31)29-26-17-8-7-16-25(26)22-11-3-1-4-12-22/h1-18H,20H2,(H,29,31).
What are the key properties of 2-[N-(benzenesulfonyl)-3-cyanoanilino]-N-(2-phenylphenyl)acetamide?
2-[N-(benzenesulfonyl)-3-cyanoanilino]-N-(2-phenylphenyl)acetamide has a molecular weight of 467.55 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-cyanoanilino]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 47013285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).