2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide

C11H14ClNO2S — CID 60652550

IUPAC2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)CSc1ccccc1Cl
InChIInChI=1S/C11H14ClNO2S/c1-13(6-7-14)11(15)8-16-10-5-3-2-4-9(10)12/h2-5,14H,6-8H2,1H3
InChIKeyKQCKIBZCFMDVTM-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.88
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide

2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 60652550) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID60652550
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)CSc1ccccc1Cl
InChIInChI=1S/C11H14ClNO2S/c1-13(6-7-14)11(15)8-16-10-5-3-2-4-9(10)12/h2-5,14H,6-8H2,1H3
InChIKeyKQCKIBZCFMDVTM-UHFFFAOYSA-N
XLogP1.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573647
N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanyl-N-methylacetamide
CID 112790303
2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 112789832
2-(2-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 112778891
3-[[2-(2-chlorophenyl)sulfanylacetyl]-propan-2-ylamino]propanoic acid
CID 60831942
2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 26554097
2-(2-chlorophenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442906
3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide
CID 27312033
2-[butan-2-yl-[2-(2-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 60829065
2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide
CID 2337968
methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate
CID 54979578
N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide
CID 111695495

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide (CID 60652550) is 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide is CN(CCO)C(=O)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide?
The InChIKey is KQCKIBZCFMDVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-13(6-7-14)11(15)8-16-10-5-3-2-4-9(10)12/h2-5,14H,6-8H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide?
2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 259.76 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 60652550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).