N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide

C20H19NO2S — CID 19490848

IUPACN-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(COc3ccccc3)cs2)cc1C
InChIInChI=1S/C20H19NO2S/c1-14-8-9-17(10-15(14)2)21-20(22)19-11-16(13-24-19)12-23-18-6-4-3-5-7-18/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyVAHDKPTYHYMENK-UHFFFAOYSA-N
MW337.44 g/mol
LogP5.20
Rot. Bonds5

About N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide

N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide (PubChem CID 19490848) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
PubChem CID19490848
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(COc3ccccc3)cs2)cc1C
InChIInChI=1S/C20H19NO2S/c1-14-8-9-17(10-15(14)2)21-20(22)19-11-16(13-24-19)12-23-18-6-4-3-5-7-18/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyVAHDKPTYHYMENK-UHFFFAOYSA-N
XLogP5.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490853
N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19489010
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
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19486991
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
N-(3,4-difluorophenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491098
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19505455
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19505415
4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19486975
N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498782

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide (CID 19490848) is N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc(COc3ccccc3)cs2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide?
The InChIKey is VAHDKPTYHYMENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-14-8-9-17(10-15(14)2)21-20(22)19-11-16(13-24-19)12-23-18-6-4-3-5-7-18/h3-11,13H,12H2,1-2H3,(H,21,22).
What are the key properties of N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide?
N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide has a molecular weight of 337.44 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19490848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).