3-(5-chlorothiophen-2-yl)prop-2-enamide

C7H6ClNOS — CID 74868106

IUPAC3-(5-chlorothiophen-2-yl)prop-2-enamide
SMILESNC(=O)C=Cc1ccc(Cl)s1
InChIInChI=1S/C7H6ClNOS/c8-6-3-1-5(11-6)2-4-7(9)10/h1-4H,(H2,9,10)
InChIKeyASSAHXOPAJMUKN-UHFFFAOYSA-N
MW187.65 g/mol
LogP1.90
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)prop-2-enamide

3-(5-chlorothiophen-2-yl)prop-2-enamide (PubChem CID 74868106) has the molecular formula C7H6ClNOS and a molecular weight of 187.65 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)prop-2-enamide
PubChem CID74868106
Molecular FormulaC7H6ClNOS
Molecular Weight187.65 g/mol
Exact Mass186.99
IUPAC Name3-(5-chlorothiophen-2-yl)prop-2-enamide
SMILESNC(=O)C=Cc1ccc(Cl)s1
InChIInChI=1S/C7H6ClNOS/c8-6-3-1-5(11-6)2-4-7(9)10/h1-4H,(H2,9,10)
InChIKeyASSAHXOPAJMUKN-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(5-chlorothiophen-2-yl)prop-2-enamide 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 3-(5-chlorothiophen-2-yl)prop-2-enamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)prop-2-enamide (CID 74868106) is 3-(5-chlorothiophen-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)prop-2-enamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)prop-2-enamide is NC(=O)C=Cc1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)prop-2-enamide?
The InChIKey is ASSAHXOPAJMUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNOS/c8-6-3-1-5(11-6)2-4-7(9)10/h1-4H,(H2,9,10).
What are the key properties of 3-(5-chlorothiophen-2-yl)prop-2-enamide?
3-(5-chlorothiophen-2-yl)prop-2-enamide has a molecular weight of 187.65 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 74868106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).