2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide

C14H20ClNO2S — CID 103862035

IUPAC2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)CSc1ccccc1Cl
InChIInChI=1S/C14H20ClNO2S/c1-11(9-17)5-4-8-16-14(18)10-19-13-7-3-2-6-12(13)15/h2-3,6-7,11,17H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyIKHVSPJPNYLDQX-UHFFFAOYSA-N
MW301.84 g/mol
LogP2.96
Rot. Bonds8

About 2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide (PubChem CID 103862035) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide
PubChem CID103862035
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)CSc1ccccc1Cl
InChIInChI=1S/C14H20ClNO2S/c1-11(9-17)5-4-8-16-14(18)10-19-13-7-3-2-6-12(13)15/h2-3,6-7,11,17H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyIKHVSPJPNYLDQX-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)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

2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119383840
2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 26554097
3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861871
N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide
CID 106156966
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604280
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
CID 66176005
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392699
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170018
2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725645
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392698

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide (CID 103862035) is 2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide is CC(CO)CCCNC(=O)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide?
The InChIKey is IKHVSPJPNYLDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-11(9-17)5-4-8-16-14(18)10-19-13-7-3-2-6-12(13)15/h2-3,6-7,11,17H,4-5,8-10H2,1H3,(H,16,18).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide has a molecular weight of 301.84 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 103862035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).