5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide

C16H22ClNOS — CID 43696000

IUPAC5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide
SMILESO=C(CCCCCl)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C16H22ClNOS/c17-12-6-5-11-16(19)18-14-9-3-4-10-15(14)20-13-7-1-2-8-13/h3-4,9-10,13H,1-2,5-8,11-12H2,(H,18,19)
InChIKeyKLPFVQPIVABEFY-UHFFFAOYSA-N
MW311.88 g/mol
LogP5.07
Rot. Bonds7

About 5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide

5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide (PubChem CID 43696000) has the molecular formula C16H22ClNOS and a molecular weight of 311.88 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide
PubChem CID43696000
Molecular FormulaC16H22ClNOS
Molecular Weight311.88 g/mol
Exact Mass311.11
IUPAC Name5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide
SMILESO=C(CCCCCl)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C16H22ClNOS/c17-12-6-5-11-16(19)18-14-9-3-4-10-15(14)20-13-7-1-2-8-13/h3-4,9-10,13H,1-2,5-8,11-12H2,(H,18,19)
InChIKeyKLPFVQPIVABEFY-UHFFFAOYSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.88
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide 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-(2-cyclopentylsulfanylphenyl)-4-(methylamino)butanamide
CID 60841702
N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide
CID 60843241
N-(2-cyclopentylsulfanylphenyl)-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 43074199
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride
CID 119950014
N-(2-cyclopentylsulfanylphenyl)-2-(3-fluorophenyl)acetamide
CID 32558856
N-(2-cyclopentylsulfanylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86931867
N-(2-cyclopentylsulfanylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 55615383
5-chloro-N-(2-propan-2-ylphenyl)pentanamide
CID 28727835
N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
CID 47327417
N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide
CID 55096699
5-amino-N-(2-cyclopentylsulfanylphenyl)-2-methylpentanamide
CID 104683759

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide?
The IUPAC name of 5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide (CID 43696000) is 5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide?
The canonical SMILES for 5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide is O=C(CCCCCl)Nc1ccccc1SC1CCCC1.
What is the InChIKey of 5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide?
The InChIKey is KLPFVQPIVABEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNOS/c17-12-6-5-11-16(19)18-14-9-3-4-10-15(14)20-13-7-1-2-8-13/h3-4,9-10,13H,1-2,5-8,11-12H2,(H,18,19).
What are the key properties of 5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide?
5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide has a molecular weight of 311.88 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclopentylsulfanylphenyl)pentanamide is sourced from PubChem (CID 43696000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).