2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide

C14H18ClNOS — CID 62224974

IUPAC2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(C(Cl)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C14H18ClNOS/c1-18-12-8-6-10(7-9-12)13(15)14(17)16-11-4-2-3-5-11/h6-9,11,13H,2-5H2,1H3,(H,16,17)
InChIKeyQUOMUDSBXQHAPC-UHFFFAOYSA-N
MW283.82 g/mol
LogP3.75
Rot. Bonds4

About 2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide

2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide (PubChem CID 62224974) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide
PubChem CID62224974
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC Name2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(C(Cl)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C14H18ClNOS/c1-18-12-8-6-10(7-9-12)13(15)14(17)16-11-4-2-3-5-11/h6-9,11,13H,2-5H2,1H3,(H,16,17)
InChIKeyQUOMUDSBXQHAPC-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)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-chloro-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea
CID 38268942
2-chloro-N-cyclopentyl-2-(4-fluoro-3-methylphenyl)acetamide
CID 62224609
2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide
CID 104823455
2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide
CID 62496113
2-chloro-N-cyclohexyl-2-(4-propoxyphenyl)acetamide
CID 62496114
N-cyclohexyl-4-methylsulfanylbenzamide
CID 60645846
2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide
CID 62226849
2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide
CID 115525365
methyl 2-(cyclohexylamino)-2-(4-methylsulfanylphenyl)acetate
CID 60997375
2-chloro-N-cyclohexyl-2-(3,5-dimethoxyphenyl)acetamide
CID 62224981

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide (CID 62224974) is 2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide is CSc1ccc(C(Cl)C(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide?
The InChIKey is QUOMUDSBXQHAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS/c1-18-12-8-6-10(7-9-12)13(15)14(17)16-11-4-2-3-5-11/h6-9,11,13H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide?
2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide has a molecular weight of 283.82 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 62224974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).