3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide

C21H26N4O6S — CID 27793241

IUPAC3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H26N4O6S/c1-15(26)23-16-6-10-19(11-7-16)32(29,30)22-13-12-21(28)25(2)14-20(27)24-17-4-8-18(31-3)9-5-17/h4-11,22H,12-14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyRBOPAKPJTFOHKU-UHFFFAOYSA-N
MW462.53 g/mol
LogP1.42
Rot. Bonds10

About 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide

3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 27793241) has the molecular formula C21H26N4O6S and a molecular weight of 462.53 g/mol. Its IUPAC name is 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID27793241
Molecular FormulaC21H26N4O6S
Molecular Weight462.53 g/mol
Exact Mass462.16
IUPAC Name3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H26N4O6S/c1-15(26)23-16-6-10-19(11-7-16)32(29,30)22-13-12-21(28)25(2)14-20(27)24-17-4-8-18(31-3)9-5-17/h4-11,22H,12-14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyRBOPAKPJTFOHKU-UHFFFAOYSA-N
XLogP1.42
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9438462
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 7936687
3-[(4-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192611
N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide
CID 110288838
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9412008
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192752
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide
CID 11140694

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide (CID 27793241) is 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide is COc1ccc(NC(=O)CN(C)C(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is RBOPAKPJTFOHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6S/c1-15(26)23-16-6-10-19(11-7-16)32(29,30)22-13-12-21(28)25(2)14-20(27)24-17-4-8-18(31-3)9-5-17/h4-11,22H,12-14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide?
3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 462.53 g/mol, XLogP of 1.42, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 27793241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).