3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide

C15H15NOS — CID 9399962

IUPAC3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sccc1-c1ccc(C)cc1
InChIInChI=1S/C15H15NOS/c1-3-9-16-15(17)14-13(8-10-18-14)12-6-4-11(2)5-7-12/h3-8,10H,1,9H2,2H3,(H,16,17)
InChIKeyIFBDSVQGTSIFSL-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.64
Rot. Bonds4

About 3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide

3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 9399962) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide
PubChem CID9399962
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sccc1-c1ccc(C)cc1
InChIInChI=1S/C15H15NOS/c1-3-9-16-15(17)14-13(8-10-18-14)12-6-4-11(2)5-7-12/h3-8,10H,1,9H2,2H3,(H,16,17)
InChIKeyIFBDSVQGTSIFSL-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-methylphenyl)-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-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119500045
N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 51256105
N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119494952
N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide
CID 38275560
6-methyl-N-prop-2-enylthieno[3,2-b]thiophene-5-carboxamide
CID 39892802
N-but-3-enyl-3-phenylthiophene-2-carboxamide
CID 113465989
3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 51206987
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride
CID 120948558
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55388104
(2S)-4-methyl-2-[[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]acetyl]amino]pentanoic acid
CID 120694342
3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 47143281
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 98623177

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide (CID 9399962) is 3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sccc1-c1ccc(C)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is IFBDSVQGTSIFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-3-9-16-15(17)14-13(8-10-18-14)12-6-4-11(2)5-7-12/h3-8,10H,1,9H2,2H3,(H,16,17).
What are the key properties of 3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide?
3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 257.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 9399962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).