N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C24H25ClN2O3S — CID 3508209

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(Cl)cc2)c2ccccc2C)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-18-7-13-22(14-8-18)31(29,30)27(23-6-4-3-5-19(23)2)17-24(28)26-16-15-20-9-11-21(25)12-10-20/h3-14H,15-17H2,1-2H3,(H,26,28)
InChIKeyDMKVKQGBIAMDHG-UHFFFAOYSA-N
MW457.00 g/mol
LogP4.51
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 3508209) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID3508209
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(Cl)cc2)c2ccccc2C)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-18-7-13-22(14-8-18)31(29,30)27(23-6-4-3-5-19(23)2)17-24(28)26-16-15-20-9-11-21(25)12-10-20/h3-14H,15-17H2,1-2H3,(H,26,28)
InChIKeyDMKVKQGBIAMDHG-UHFFFAOYSA-N
XLogP4.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164614642
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
N-benzyl-2-[2-chloro(phenylsulfonyl)anilino]acetamide
CID 1203977
N-(4-chlorobenzyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanamide
CID 2947130
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4852464
N-(3-Chlorophenyl)-2-{N-[3-(trifluoromethyl)phenyl]benzenesulfonamido}acetamide
CID 1247140
2-[(2,4-dichlorophenyl)(phenylsulfonyl)amino]-N-(phenylethyl)acetamide
CID 2851193
1-Acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 20853143
N-(3-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetamide
CID 1153925
2-[(3-Chloro-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 44580808
2-[(2-Chloro-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 44581170
2-[(5-Chloro-2-methyl-phenyl)-methanesulfonyl-amino]-N-cyclohexyl-acetamide
CID 647018

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 3508209) is N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(Cl)cc2)c2ccccc2C)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is DMKVKQGBIAMDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-18-7-13-22(14-8-18)31(29,30)27(23-6-4-3-5-19(23)2)17-24(28)26-16-15-20-9-11-21(25)12-10-20/h3-14H,15-17H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 457.00 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 3508209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).