2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide

C30H31N3O7S2 — CID 43881347

IUPAC2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C30H31N3O7S2/c1-21-8-13-27(14-9-21)42(37,38)33(25-12-17-28(39-3)29(19-25)40-4)20-30(34)31-23-10-15-26(16-11-23)41(35,36)32-24-7-5-6-22(2)18-24/h5-19,32H,20H2,1-4H3,(H,31,34)
InChIKeyQVGJXDZZABSUJS-UHFFFAOYSA-N
MW609.73 g/mol
LogP4.96
Rot. Bonds11

About 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide

2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43881347) has the molecular formula C30H31N3O7S2 and a molecular weight of 609.73 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID43881347
Molecular FormulaC30H31N3O7S2
Molecular Weight609.73 g/mol
Exact Mass609.16
IUPAC Name2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C30H31N3O7S2/c1-21-8-13-27(14-9-21)42(37,38)33(25-12-17-28(39-3)29(19-25)40-4)20-30(34)31-23-10-15-26(16-11-23)41(35,36)32-24-7-5-6-22(2)18-24/h5-19,32H,20H2,1-4H3,(H,31,34)
InChIKeyQVGJXDZZABSUJS-UHFFFAOYSA-N
XLogP4.96
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.73
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 43916184
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880892
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881821
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881594
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43879935
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide
CID 998314
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43881792
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1363486
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43882064
N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51343967
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881610
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43879909

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide (CID 43881347) is 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide is COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is QVGJXDZZABSUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O7S2/c1-21-8-13-27(14-9-21)42(37,38)33(25-12-17-28(39-3)29(19-25)40-4)20-30(34)31-23-10-15-26(16-11-23)41(35,36)32-24-7-5-6-22(2)18-24/h5-19,32H,20H2,1-4H3,(H,31,34).
What are the key properties of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide?
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 609.73 g/mol, XLogP of 4.96, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43881347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).