2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide

C16H22N2O2S — CID 3992711

IUPAC2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-11(16(20)18-13-5-3-4-6-13)21-15-9-7-14(8-10-15)17-12(2)19/h7-11,13H,3-6H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAPIHQBQCUQJMKI-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.18
Rot. Bonds5

About 2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide

2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide (PubChem CID 3992711) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
PubChem CID3992711
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-11(16(20)18-13-5-3-4-6-13)21-15-9-7-14(8-10-15)17-12(2)19/h7-11,13H,3-6H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAPIHQBQCUQJMKI-UHFFFAOYSA-N
XLogP3.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide (CID 3992711) is 2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide is CC(=O)Nc1ccc(SC(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide?
The InChIKey is APIHQBQCUQJMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(16(20)18-13-5-3-4-6-13)21-15-9-7-14(8-10-15)17-12(2)19/h7-11,13H,3-6H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide?
2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide has a molecular weight of 306.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide is sourced from PubChem (CID 3992711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).