2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide

C27H24N2O4S — CID 1262151

IUPAC2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H24N2O4S/c1-21-10-8-9-15-26(21)28-27(30)20-29(34(31,32)25-13-6-3-7-14-25)22-16-18-24(19-17-22)33-23-11-4-2-5-12-23/h2-19H,20H2,1H3,(H,28,30)
InChIKeyYMQATFRODPGDLV-UHFFFAOYSA-N
MW472.57 g/mol
LogP5.62
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide

2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide (PubChem CID 1262151) has the molecular formula C27H24N2O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide
PubChem CID1262151
Molecular FormulaC27H24N2O4S
Molecular Weight472.57 g/mol
Exact Mass472.15
IUPAC Name2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H24N2O4S/c1-21-10-8-9-15-26(21)28-27(30)20-29(34(31,32)25-13-6-3-7-14-25)22-16-18-24(19-17-22)33-23-11-4-2-5-12-23/h2-19H,20H2,1H3,(H,28,30)
InChIKeyYMQATFRODPGDLV-UHFFFAOYSA-N
XLogP5.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide
CID 126415624
N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 126415460
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 126413914
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 30169662
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126415335
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 4565026
2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1118149
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-methylphenyl)acetamide
CID 1334553
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(2-methylphenyl)acetamide
CID 4052421
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methylphenyl)acetamide
CID 30257873
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide
CID 30173217
N-(2,3-dimethylphenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 23883732

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide (CID 1262151) is 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide?
The InChIKey is YMQATFRODPGDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4S/c1-21-10-8-9-15-26(21)28-27(30)20-29(34(31,32)25-13-6-3-7-14-25)22-16-18-24(19-17-22)33-23-11-4-2-5-12-23/h2-19H,20H2,1H3,(H,28,30).
What are the key properties of 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide has a molecular weight of 472.57 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 1262151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).