4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide

C15H21NO2S — CID 110008816

IUPAC4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESCCSc1ccc(C(=O)NC2(CO)CCCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-2-19-13-7-5-12(6-8-13)14(18)16-15(11-17)9-3-4-10-15/h5-8,17H,2-4,9-11H2,1H3,(H,16,18)
InChIKeyMIXHSFFHYUJJCP-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.83
Rot. Bonds5

About 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide

4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 110008816) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID110008816
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESCCSc1ccc(C(=O)NC2(CO)CCCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-2-19-13-7-5-12(6-8-13)14(18)16-15(11-17)9-3-4-10-15/h5-8,17H,2-4,9-11H2,1H3,(H,16,18)
InChIKeyMIXHSFFHYUJJCP-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide (CID 110008816) is 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide is CCSc1ccc(C(=O)NC2(CO)CCCC2)cc1.
What is the InChIKey of 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is MIXHSFFHYUJJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-2-19-13-7-5-12(6-8-13)14(18)16-15(11-17)9-3-4-10-15/h5-8,17H,2-4,9-11H2,1H3,(H,16,18).
What are the key properties of 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 279.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 110008816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).