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

C24H25ClN2O3S — CID 1283333

IUPACN-[(4-chlorophenyl)methyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-3-20-6-4-5-7-23(20)27(31(29,30)22-14-8-18(2)9-15-22)17-24(28)26-16-19-10-12-21(25)13-11-19/h4-15H,3,16-17H2,1-2H3,(H,26,28)
InChIKeyCBDBSQHFOYMVSD-UHFFFAOYSA-N
MW457.00 g/mol
LogP4.72
Rot. Bonds8

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

N-[(4-chlorophenyl)methyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 1283333) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID1283333
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-3-20-6-4-5-7-23(20)27(31(29,30)22-14-8-18(2)9-15-22)17-24(28)26-16-19-10-12-21(25)13-11-19/h4-15H,3,16-17H2,1-2H3,(H,26,28)
InChIKeyCBDBSQHFOYMVSD-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
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-[(4-chlorophenyl)methyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 1283333) is N-[(4-chlorophenyl)methyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is CCc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is CBDBSQHFOYMVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-3-20-6-4-5-7-23(20)27(31(29,30)22-14-8-18(2)9-15-22)17-24(28)26-16-19-10-12-21(25)13-11-19/h4-15H,3,16-17H2,1-2H3,(H,26,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[(4-chlorophenyl)methyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 457.00 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1283333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).