3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide

C15H14ClNOS2 — CID 2767963

IUPAC3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(SC)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNOS2/c1-3-8-17-15(18)14-12(9-13(19-2)20-14)10-4-6-11(16)7-5-10/h3-7,9H,1,8H2,2H3,(H,17,18)
InChIKeyXSALYPKJDBWWEO-UHFFFAOYSA-N
MW323.87 g/mol
LogP4.71
Rot. Bonds5

About 3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide

3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 2767963) has the molecular formula C15H14ClNOS2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
PubChem CID2767963
Molecular FormulaC15H14ClNOS2
Molecular Weight323.87 g/mol
Exact Mass323.02
IUPAC Name3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(SC)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNOS2/c1-3-8-17-15(18)14-12(9-13(19-2)20-14)10-4-6-11(16)7-5-10/h3-7,9H,1,8H2,2H3,(H,17,18)
InChIKeyXSALYPKJDBWWEO-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 856372
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
N-[(1R)-2-amino-1-phenylethyl]-5-(2-chlorophenyl)-2-methylthiophene-3-carboxamide
CID 129012089
3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide
CID 673330
N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 1245406
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
3-[(4-chlorobenzyl)thio]-N-(thien-2-ylmethyl)propanamide
CID 5179108
3,6-Dichloro-N-cyclopropylbenzo[b]thiophene-2-carboxamide
CID 9079896
2-chloro-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 9507811
N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide (CID 2767963) is 3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(SC)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is XSALYPKJDBWWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS2/c1-3-8-17-15(18)14-12(9-13(19-2)20-14)10-4-6-11(16)7-5-10/h3-7,9H,1,8H2,2H3,(H,17,18).
What are the key properties of 3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 323.87 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 2767963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).