4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide

C25H27N3O5S — CID 24607001

IUPAC4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27N3O5S/c1-18-5-15-23(16-6-18)34(31,32)28(21-11-13-22(33-4)14-12-21)17-24(29)26-20-9-7-19(8-10-20)25(30)27(2)3/h5-16H,17H2,1-4H3,(H,26,29)
InChIKeyZPYYMSWWURXYFH-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.54
Rot. Bonds8

About 4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide

4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 24607001) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID24607001
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27N3O5S/c1-18-5-15-23(16-6-18)34(31,32)28(21-11-13-22(33-4)14-12-21)17-24(29)26-20-9-7-19(8-10-20)25(30)27(2)3/h5-16H,17H2,1-4H3,(H,26,29)
InChIKeyZPYYMSWWURXYFH-UHFFFAOYSA-N
XLogP3.54
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171501
N-(4-butylphenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 126270925
N-(3,4-difluorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 53279263
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 3885413
methyl 2-chloro-5-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 21372677
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 30170549
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide
CID 2286489
4-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 51344975
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 1204001
methyl 3-[[2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]-4-methylbenzoate
CID 1312734
N-(4-acetamidophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1302894

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide (CID 24607001) is 4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide is COc1ccc(N(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is ZPYYMSWWURXYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-18-5-15-23(16-6-18)34(31,32)28(21-11-13-22(33-4)14-12-21)17-24(29)26-20-9-7-19(8-10-20)25(30)27(2)3/h5-16H,17H2,1-4H3,(H,26,29).
What are the key properties of 4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 481.57 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 24607001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).