2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide

C13H18N2OS — CID 19317767

IUPAC2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
SMILESNc1ccc(SCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C13H18N2OS/c14-10-5-7-12(8-6-10)17-9-13(16)15-11-3-1-2-4-11/h5-8,11H,1-4,9,14H2,(H,15,16)
InChIKeyRFOWXJYTODXTTJ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.42
Rot. Bonds4

About 2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide

2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide (PubChem CID 19317767) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
PubChem CID19317767
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
SMILESNc1ccc(SCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C13H18N2OS/c14-10-5-7-12(8-6-10)17-9-13(16)15-11-3-1-2-4-11/h5-8,11H,1-4,9,14H2,(H,15,16)
InChIKeyRFOWXJYTODXTTJ-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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

2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43299295
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide
CID 79148174
2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79148069
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
2-(5-amino-2-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79141959
2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide
CID 53279584
2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide
CID 29479561
N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide
CID 119476399
ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 26776895

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide (CID 19317767) is 2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide is Nc1ccc(SCC(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide?
The InChIKey is RFOWXJYTODXTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c14-10-5-7-12(8-6-10)17-9-13(16)15-11-3-1-2-4-11/h5-8,11H,1-4,9,14H2,(H,15,16).
What are the key properties of 2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide?
2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide has a molecular weight of 250.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide is sourced from PubChem (CID 19317767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).