2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide

C31H27N3O5S2 — CID 43881129

IUPAC2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C31H27N3O5S2/c1-23-14-18-26(19-15-23)34(41(38,39)28-10-3-2-4-11-28)22-31(35)32-25-16-20-27(21-17-25)40(36,37)33-30-13-7-9-24-8-5-6-12-29(24)30/h2-21,33H,22H2,1H3,(H,32,35)
InChIKeyNPNJTTFQPDOEDX-UHFFFAOYSA-N
MW585.71 g/mol
LogP5.78
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide

2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide (PubChem CID 43881129) has the molecular formula C31H27N3O5S2 and a molecular weight of 585.71 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
PubChem CID43881129
Molecular FormulaC31H27N3O5S2
Molecular Weight585.71 g/mol
Exact Mass585.14
IUPAC Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C31H27N3O5S2/c1-23-14-18-26(19-15-23)34(41(38,39)28-10-3-2-4-11-28)22-31(35)32-25-16-20-27(21-17-25)40(36,37)33-30-13-7-9-24-8-5-6-12-29(24)30/h2-21,33H,22H2,1H3,(H,32,35)
InChIKeyNPNJTTFQPDOEDX-UHFFFAOYSA-N
XLogP5.78
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43880459
2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 3249164
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126177951
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43882330
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43880458
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43882414
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide
CID 126387507
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126181644
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 51345410
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 999545
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 3966474
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43882335

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide (CID 43881129) is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide is Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
The InChIKey is NPNJTTFQPDOEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O5S2/c1-23-14-18-26(19-15-23)34(41(38,39)28-10-3-2-4-11-28)22-31(35)32-25-16-20-27(21-17-25)40(36,37)33-30-13-7-9-24-8-5-6-12-29(24)30/h2-21,33H,22H2,1H3,(H,32,35).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide has a molecular weight of 585.71 g/mol, XLogP of 5.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 43881129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).