N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide

C21H21NO2S — CID 19498796

IUPACN-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(COc2ccccc2C)cs1
InChIInChI=1S/C21H21NO2S/c1-3-17-9-5-6-10-18(17)22-21(23)20-12-16(14-25-20)13-24-19-11-7-4-8-15(19)2/h4-12,14H,3,13H2,1-2H3,(H,22,23)
InChIKeyVVTIWEAOPVYHJP-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.45
Rot. Bonds6

About N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide

N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19498796) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19498796
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(COc2ccccc2C)cs1
InChIInChI=1S/C21H21NO2S/c1-3-17-9-5-6-10-18(17)22-21(23)20-12-16(14-25-20)13-24-19-11-7-4-8-15(19)2/h4-12,14H,3,13H2,1-2H3,(H,22,23)
InChIKeyVVTIWEAOPVYHJP-UHFFFAOYSA-N
XLogP5.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501342
4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19505471
4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19505218
N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498782
N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498820
4-[(2,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19471555
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19486493
4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19495261
4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19469618
4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide
CID 19471602
N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486859
N-(2,3-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469374

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide (CID 19498796) is N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide is CCc1ccccc1NC(=O)c1cc(COc2ccccc2C)cs1.
What is the InChIKey of N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is VVTIWEAOPVYHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-3-17-9-5-6-10-18(17)22-21(23)20-12-16(14-25-20)13-24-19-11-7-4-8-15(19)2/h4-12,14H,3,13H2,1-2H3,(H,22,23).
What are the key properties of N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide?
N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19498796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).