2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide

C15H20N2O2S — CID 585653

IUPAC2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide
SMILESO=C(CSCC(=O)NC1CCCC1)Nc1ccccc1
InChIInChI=1S/C15H20N2O2S/c18-14(16-12-6-2-1-3-7-12)10-20-11-15(19)17-13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11H2,(H,16,18)(H,17,19)
InChIKeyZOSJUBVYPFLRBM-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.42
Rot. Bonds6

About 2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide

2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide (PubChem CID 585653) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide
PubChem CID585653
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide
SMILESO=C(CSCC(=O)NC1CCCC1)Nc1ccccc1
InChIInChI=1S/C15H20N2O2S/c18-14(16-12-6-2-1-3-7-12)10-20-11-15(19)17-13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11H2,(H,16,18)(H,17,19)
InChIKeyZOSJUBVYPFLRBM-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide?
The IUPAC name of 2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide (CID 585653) is 2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide?
The canonical SMILES for 2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide is O=C(CSCC(=O)NC1CCCC1)Nc1ccccc1.
What is the InChIKey of 2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide?
The InChIKey is ZOSJUBVYPFLRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c18-14(16-12-6-2-1-3-7-12)10-20-11-15(19)17-13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11H2,(H,16,18)(H,17,19).
What are the key properties of 2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide?
2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide has a molecular weight of 292.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-2-oxoethyl)sulfanyl-N-cyclopentylacetamide is sourced from PubChem (CID 585653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).