N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide

C13H18N2OS — CID 63114529

IUPACN-(2-aminophenyl)-2-cyclopentylsulfanylacetamide
SMILESNc1ccccc1NC(=O)CSC1CCCC1
InChIInChI=1S/C13H18N2OS/c14-11-7-3-4-8-12(11)15-13(16)9-17-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9,14H2,(H,15,16)
InChIKeyILRBHLCJBUVHGU-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.88
Rot. Bonds4

About N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide

N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide (PubChem CID 63114529) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-cyclopentylsulfanylacetamide
PubChem CID63114529
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-(2-aminophenyl)-2-cyclopentylsulfanylacetamide
SMILESNc1ccccc1NC(=O)CSC1CCCC1
InChIInChI=1S/C13H18N2OS/c14-11-7-3-4-8-12(11)15-13(16)9-17-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9,14H2,(H,15,16)
InChIKeyILRBHLCJBUVHGU-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.88
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-2-methylphenyl)-2-cyclopentylsulfanylacetamide
CID 55136606
N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide
CID 60884706
N-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903
2-cyclohexylsulfanyl-N-phenylacetamide
CID 23932731
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide
CID 63115483
N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide
CID 62057025
2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 7825724
2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 6456804
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-aminophenyl)acetamide
CID 82746693
N-(2-amino-4-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide
CID 62720631
N-(2-amino-4-methylphenyl)-2-(3-methylcyclohexyl)sulfanylacetamide
CID 62723140

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide?
The IUPAC name of N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide (CID 63114529) is N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide?
The canonical SMILES for N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide is Nc1ccccc1NC(=O)CSC1CCCC1.
What is the InChIKey of N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide?
The InChIKey is ILRBHLCJBUVHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c14-11-7-3-4-8-12(11)15-13(16)9-17-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9,14H2,(H,15,16).
What are the key properties of N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide?
N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide has a molecular weight of 250.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide is sourced from PubChem (CID 63114529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).