N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide

C17H18ClN3O4S — CID 112999779

IUPACN-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C17H18ClN3O4S/c1-11-9-15(7-8-16(11)18)26(24,25)19-10-17(23)21-14-5-3-13(4-6-14)20-12(2)22/h3-9,19H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVKVZOIVIDVGGKC-UHFFFAOYSA-N
MW395.87 g/mol
LogP2.52
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide

N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide (PubChem CID 112999779) has the molecular formula C17H18ClN3O4S and a molecular weight of 395.87 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
PubChem CID112999779
Molecular FormulaC17H18ClN3O4S
Molecular Weight395.87 g/mol
Exact Mass395.07
IUPAC NameN-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C17H18ClN3O4S/c1-11-9-15(7-8-16(11)18)26(24,25)19-10-17(23)21-14-5-3-13(4-6-14)20-12(2)22/h3-9,19H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVKVZOIVIDVGGKC-UHFFFAOYSA-N
XLogP2.52
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
CID 112997620
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 112996149
N-(4-acetamidophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 112999771
N-(3-chloro-4-methylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 112998194
N-(4-acetamidophenyl)-2-[(3-chlorophenyl)sulfonylamino]acetamide
CID 112999785
2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 112998145
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2402359
N-(3,4-dichlorophenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 34735877
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 112992700
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689
N-(3,5-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 113001384

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide (CID 112999779) is N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide is CC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide?
The InChIKey is VKVZOIVIDVGGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4S/c1-11-9-15(7-8-16(11)18)26(24,25)19-10-17(23)21-14-5-3-13(4-6-14)20-12(2)22/h3-9,19H,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide?
N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide has a molecular weight of 395.87 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112999779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).