2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide

C11H12ClNOS — CID 2272364

IUPAC2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNOS/c1-2-7-13-11(14)8-15-10-5-3-9(12)4-6-10/h2-6H,1,7-8H2,(H,13,14)
InChIKeyASYARCQGPHAQHG-UHFFFAOYSA-N
MW241.74 g/mol
LogP2.73
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide

2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide (PubChem CID 2272364) has the molecular formula C11H12ClNOS and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide
PubChem CID2272364
Molecular FormulaC11H12ClNOS
Molecular Weight241.74 g/mol
Exact Mass241.03
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNOS/c1-2-7-13-11(14)8-15-10-5-3-9(12)4-6-10/h2-6H,1,7-8H2,(H,13,14)
InChIKeyASYARCQGPHAQHG-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide 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 2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide (CID 2272364) is 2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide is C=CCNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide?
The InChIKey is ASYARCQGPHAQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNOS/c1-2-7-13-11(14)8-15-10-5-3-9(12)4-6-10/h2-6H,1,7-8H2,(H,13,14).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide?
2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide has a molecular weight of 241.74 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide is sourced from PubChem (CID 2272364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).