N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide

C19H16FNO2S — CID 19490853

IUPACN-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(COc3ccccc3)cs2)cc1F
InChIInChI=1S/C19H16FNO2S/c1-13-7-8-15(10-17(13)20)21-19(22)18-9-14(12-24-18)11-23-16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeySOVBVHYSEGTIAY-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.03
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide

N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide (PubChem CID 19490853) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
PubChem CID19490853
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(COc3ccccc3)cs2)cc1F
InChIInChI=1S/C19H16FNO2S/c1-13-7-8-15(10-17(13)20)21-19(22)18-9-14(12-24-18)11-23-16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeySOVBVHYSEGTIAY-UHFFFAOYSA-N
XLogP5.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)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-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490848
N-(3,4-difluorophenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491098
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19491015
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491160
N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484567
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500907
4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19486991
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307
N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493180
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19505455

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide (CID 19490853) is N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc(COc3ccccc3)cs2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide?
The InChIKey is SOVBVHYSEGTIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c1-13-7-8-15(10-17(13)20)21-19(22)18-9-14(12-24-18)11-23-16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H,21,22).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide?
N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19490853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).