N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide

C21H20FNO2S — CID 134052678

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2sccc2-c2ccc(C)cc2)cc1F
InChIInChI=1S/C21H20FNO2S/c1-14-4-7-16(8-5-14)17-10-11-26-20(17)21(24)23(2)13-15-6-9-19(25-3)18(22)12-15/h4-12H,13H2,1-3H3
InChIKeyCLHKRJBLNYHJFT-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.14
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 134052678) has the molecular formula C21H20FNO2S and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID134052678
Molecular FormulaC21H20FNO2S
Molecular Weight369.46 g/mol
Exact Mass369.12
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2sccc2-c2ccc(C)cc2)cc1F
InChIInChI=1S/C21H20FNO2S/c1-14-4-7-16(8-5-14)17-10-11-26-20(17)21(24)23(2)13-15-6-9-19(25-3)18(22)12-15/h4-12H,13H2,1-3H3
InChIKeyCLHKRJBLNYHJFT-UHFFFAOYSA-N
XLogP5.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-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-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 51217667
N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
CID 18115808
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735669
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421791
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 55372315
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 78796913
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530
methyl 4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]benzoate
CID 31917214
N-methyl-3-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 51266547
ethyl 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoacetate
CID 115142014

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide (CID 134052678) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide is COc1ccc(CN(C)C(=O)c2sccc2-c2ccc(C)cc2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is CLHKRJBLNYHJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2S/c1-14-4-7-16(8-5-14)17-10-11-26-20(17)21(24)23(2)13-15-6-9-19(25-3)18(22)12-15/h4-12H,13H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 134052678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).