2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide

C12H14ClNO2S — CID 115877823

IUPAC2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC1(CO)CC1
InChIInChI=1S/C12H14ClNO2S/c13-9-1-3-10(4-2-9)17-7-11(16)14-12(8-15)5-6-12/h1-4,15H,5-8H2,(H,14,16)
InChIKeyQJRJOYQEQOZITM-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.07
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide (PubChem CID 115877823) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide
PubChem CID115877823
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC1(CO)CC1
InChIInChI=1S/C12H14ClNO2S/c13-9-1-3-10(4-2-9)17-7-11(16)14-12(8-15)5-6-12/h1-4,15H,5-8H2,(H,14,16)
InChIKeyQJRJOYQEQOZITM-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide 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

N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 113344707
3-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62520950
4-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclobutyl]butanamide
CID 115877913
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518929
3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
CID 64890600
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
2-(4-chlorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7816357
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517898
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713
2-(4-chlorophenyl)sulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 107846297
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
1-[3-(4-chlorophenyl)sulfanylpropanoylamino]cyclopropane-1-carboxylic acid
CID 65452594

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide (CID 115877823) is 2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide is O=C(CSc1ccc(Cl)cc1)NC1(CO)CC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide?
The InChIKey is QJRJOYQEQOZITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2S/c13-9-1-3-10(4-2-9)17-7-11(16)14-12(8-15)5-6-12/h1-4,15H,5-8H2,(H,14,16).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide has a molecular weight of 271.77 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide is sourced from PubChem (CID 115877823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).