N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide

C13H15Cl2NOS — CID 2536502

IUPACN-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NC1CCCC1
InChIInChI=1S/C13H15Cl2NOS/c14-9-5-6-11(15)12(7-9)18-8-13(17)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17)
InChIKeyNQBVKROKLJCSAP-UHFFFAOYSA-N
MW304.24 g/mol
LogP4.14
Rot. Bonds4

About N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide

N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide (PubChem CID 2536502) has the molecular formula C13H15Cl2NOS and a molecular weight of 304.24 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide
PubChem CID2536502
Molecular FormulaC13H15Cl2NOS
Molecular Weight304.24 g/mol
Exact Mass303.03
IUPAC NameN-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NC1CCCC1
InChIInChI=1S/C13H15Cl2NOS/c14-9-5-6-11(15)12(7-9)18-8-13(17)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17)
InChIKeyNQBVKROKLJCSAP-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide 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 N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide (CID 2536502) is N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide is O=C(CSc1cc(Cl)ccc1Cl)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide?
The InChIKey is NQBVKROKLJCSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NOS/c14-9-5-6-11(15)12(7-9)18-8-13(17)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17).
What are the key properties of N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide?
N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide has a molecular weight of 304.24 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide is sourced from PubChem (CID 2536502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).