N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide

C13H17ClN2OS — CID 62057025

IUPACN-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide
SMILESNc1cc(NC(=O)CSC2CCCC2)ccc1Cl
InChIInChI=1S/C13H17ClN2OS/c14-11-6-5-9(7-12(11)15)16-13(17)8-18-10-3-1-2-4-10/h5-7,10H,1-4,8,15H2,(H,16,17)
InChIKeyLWTWPVBWJMZZOZ-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.54
Rot. Bonds4

About N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide

N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide (PubChem CID 62057025) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide
PubChem CID62057025
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC NameN-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide
SMILESNc1cc(NC(=O)CSC2CCCC2)ccc1Cl
InChIInChI=1S/C13H17ClN2OS/c14-11-6-5-9(7-12(11)15)16-13(17)8-18-10-3-1-2-4-10/h5-7,10H,1-4,8,15H2,(H,16,17)
InChIKeyLWTWPVBWJMZZOZ-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886574
N-(3-amino-4-chlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide
CID 107748298
N-(3-amino-4-chlorophenyl)-3-(3-methylcyclohexyl)sulfanylpropanamide
CID 62720451
N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16794185
N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide
CID 60884915
N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 30111948
N-(3-amino-4-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83144848
2-cyclohexylsulfanyl-N-(4-fluorophenyl)acetamide
CID 734043
2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 7825724
N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668021
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
CID 16779269
2-cyclohexylsulfanyl-N-phenylacetamide
CID 23932731

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide (CID 62057025) is N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide is Nc1cc(NC(=O)CSC2CCCC2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide?
The InChIKey is LWTWPVBWJMZZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c14-11-6-5-9(7-12(11)15)16-13(17)8-18-10-3-1-2-4-10/h5-7,10H,1-4,8,15H2,(H,16,17).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide?
N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide has a molecular weight of 284.81 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide is sourced from PubChem (CID 62057025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).