2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide

C21H27ClN2O3S — CID 100721116

IUPAC2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide
SMILESCCc1ccc(CC)c(CNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C21H27ClN2O3S/c1-4-16-10-11-17(5-2)19(12-16)13-23-21(25)15-24(28(3,26)27)14-18-8-6-7-9-20(18)22/h6-12H,4-5,13-15H2,1-3H3,(H,23,25)
InChIKeyCAOWMMGEZSLILA-UHFFFAOYSA-N
MW422.98 g/mol
LogP3.54
Rot. Bonds9

About 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide

2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide (PubChem CID 100721116) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide
PubChem CID100721116
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide
SMILESCCc1ccc(CC)c(CNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C21H27ClN2O3S/c1-4-16-10-11-17(5-2)19(12-16)13-23-21(25)15-24(28(3,26)27)14-18-8-6-7-9-20(18)22/h6-12H,4-5,13-15H2,1-3H3,(H,23,25)
InChIKeyCAOWMMGEZSLILA-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide
CID 100625817
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 100768080
N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153214
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 133201701
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113067030
N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1320309
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28544586
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 71904798
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide
CID 126129720
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124748989
2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2460404
2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 2545354

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide (CID 100721116) is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide is CCc1ccc(CC)c(CNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide?
The InChIKey is CAOWMMGEZSLILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3S/c1-4-16-10-11-17(5-2)19(12-16)13-23-21(25)15-24(28(3,26)27)14-18-8-6-7-9-20(18)22/h6-12H,4-5,13-15H2,1-3H3,(H,23,25).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide?
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide has a molecular weight of 422.98 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide is sourced from PubChem (CID 100721116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).