N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide

C17H17ClN4O5S — CID 56516304

IUPACN-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN4O5S/c1-10(23)19-13-7-8-15(22-28(2,26)27)14(9-13)17(25)21-20-16(24)11-3-5-12(18)6-4-11/h3-9,22H,1-2H3,(H,19,23)(H,20,24)(H,21,25)
InChIKeyZSZAWPNXLSENTI-UHFFFAOYSA-N
MW424.87 g/mol
LogP1.74
Rot. Bonds5

About N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide

N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide (PubChem CID 56516304) has the molecular formula C17H17ClN4O5S and a molecular weight of 424.87 g/mol. Its IUPAC name is N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide
PubChem CID56516304
Molecular FormulaC17H17ClN4O5S
Molecular Weight424.87 g/mol
Exact Mass424.06
IUPAC NameN-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN4O5S/c1-10(23)19-13-7-8-15(22-28(2,26)27)14(9-13)17(25)21-20-16(24)11-3-5-12(18)6-4-11/h3-9,22H,1-2H3,(H,19,23)(H,20,24)(H,21,25)
InChIKeyZSZAWPNXLSENTI-UHFFFAOYSA-N
XLogP1.74
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.87
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 56516493
dimethyl 5-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]benzene-1,3-dicarboxylate
CID 56515538
5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide
CID 56579817
5-acetamido-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(methanesulfonamido)benzamide
CID 56579538
N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide
CID 910323
3-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 56513830
N-(4-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931
N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide
CID 92683312
5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride
CID 119643324
5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 56516046
N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide
CID 56579283

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide (CID 56516304) is N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide is CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NNC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide?
The InChIKey is ZSZAWPNXLSENTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O5S/c1-10(23)19-13-7-8-15(22-28(2,26)27)14(9-13)17(25)21-20-16(24)11-3-5-12(18)6-4-11/h3-9,22H,1-2H3,(H,19,23)(H,20,24)(H,21,25).
What are the key properties of N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide?
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide has a molecular weight of 424.87 g/mol, XLogP of 1.74, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 56516304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).