N-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide

C23H23NO2S — CID 17014002

IUPACN-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESC=CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H23NO2S/c1-4-13-26-21-11-8-19(9-12-21)23(25)24(16-22-6-5-14-27-22)20-10-7-17(2)18(3)15-20/h4-12,14-15H,1,13,16H2,2-3H3
InChIKeyKLSORBUFTPAHMR-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.78
Rot. Bonds7

About N-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide

N-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 17014002) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID17014002
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC NameN-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESC=CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H23NO2S/c1-4-13-26-21-11-8-19(9-12-21)23(25)24(16-22-6-5-14-27-22)20-10-7-17(2)18(3)15-20/h4-12,14-15H,1,13,16H2,2-3H3
InChIKeyKLSORBUFTPAHMR-UHFFFAOYSA-N
XLogP5.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide 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

3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17014005
N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 134008525
4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17012063
N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17013288
N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17013553
2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78760305
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 55531632
N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 35180101
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-prop-2-enylbenzamide
CID 4032693
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40760677

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide (CID 17014002) is N-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide is C=CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is KLSORBUFTPAHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-4-13-26-21-11-8-19(9-12-21)23(25)24(16-22-6-5-14-27-22)20-10-7-17(2)18(3)15-20/h4-12,14-15H,1,13,16H2,2-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide?
N-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 377.51 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 17014002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).