2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide

C17H18ClNO3S — CID 47063616

IUPAC2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide
SMILESCS(=O)(=O)Cc1ccc(CNC(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO3S/c1-23(21,22)12-14-8-6-13(7-9-14)11-19-17(20)10-15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyCOEHUTVFEQLOHY-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.74
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide

2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide (PubChem CID 47063616) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide
PubChem CID47063616
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide
SMILESCS(=O)(=O)Cc1ccc(CNC(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO3S/c1-23(21,22)12-14-8-6-13(7-9-14)11-19-17(20)10-15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyCOEHUTVFEQLOHY-UHFFFAOYSA-N
XLogP2.74
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 47052625
1-[2-(2-chlorophenyl)ethyl]-2-methyl-3-[[4-(methylsulfonylmethyl)phenyl]methyl]guanidine
CID 111882479
N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 60535333
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852
2-(2-chlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996556
2-(2-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 100632169
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 61219066
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 2679540
4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide
CID 46442591

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide (CID 47063616) is 2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide is CS(=O)(=O)Cc1ccc(CNC(=O)Cc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide?
The InChIKey is COEHUTVFEQLOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-23(21,22)12-14-8-6-13(7-9-14)11-19-17(20)10-15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide?
2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide has a molecular weight of 351.86 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 47063616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).