2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide

C29H29N3O6S2 — CID 43881594

IUPAC2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C29H29N3O6S2/c1-21-8-7-9-24(18-21)32(40(36,37)26-10-5-4-6-11-26)20-29(33)30-23-13-15-25(16-14-23)39(34,35)31-27-19-22(2)12-17-28(27)38-3/h4-19,31H,20H2,1-3H3,(H,30,33)
InChIKeyOJJZMSRNNQKWKI-UHFFFAOYSA-N
MW579.70 g/mol
LogP4.95
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide

2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43881594) has the molecular formula C29H29N3O6S2 and a molecular weight of 579.70 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID43881594
Molecular FormulaC29H29N3O6S2
Molecular Weight579.70 g/mol
Exact Mass579.15
IUPAC Name2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C29H29N3O6S2/c1-21-8-7-9-24(18-21)32(40(36,37)26-10-5-4-6-11-26)20-29(33)30-23-13-15-25(16-14-23)39(34,35)31-27-19-22(2)12-17-28(27)38-3/h4-19,31H,20H2,1-3H3,(H,30,33)
InChIKeyOJJZMSRNNQKWKI-UHFFFAOYSA-N
XLogP4.95
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.70
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43879851
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43879935
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880229
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 1280039
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880202
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880378
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880979
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881347
N-(2-methoxyphenyl)-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126033775
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881610
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880892
2-(2,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881526

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide (CID 43881594) is 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide is COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is OJJZMSRNNQKWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O6S2/c1-21-8-7-9-24(18-21)32(40(36,37)26-10-5-4-6-11-26)20-29(33)30-23-13-15-25(16-14-23)39(34,35)31-27-19-22(2)12-17-28(27)38-3/h4-19,31H,20H2,1-3H3,(H,30,33).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide?
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 579.70 g/mol, XLogP of 4.95, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43881594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).