2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide

C23H23ClN2O4S — CID 2278594

IUPAC2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23ClN2O4S/c1-16-9-12-22(30-3)20(13-16)25-23(27)15-26(21-11-10-18(24)14-17(21)2)31(28,29)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyUTQHTVQUXJACHD-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.80
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 2278594) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID2278594
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23ClN2O4S/c1-16-9-12-22(30-3)20(13-16)25-23(27)15-26(21-11-10-18(24)14-17(21)2)31(28,29)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyUTQHTVQUXJACHD-UHFFFAOYSA-N
XLogP4.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2278698
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880202
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 126147020
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2897139
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344513
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343222
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1333379
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51344748
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide
CID 43893000
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880979
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894783
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 51343549

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 2278594) is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is UTQHTVQUXJACHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-16-9-12-22(30-3)20(13-16)25-23(27)15-26(21-11-10-18(24)14-17(21)2)31(28,29)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 458.97 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 2278594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).