4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide

C20H19NO2S — CID 19495261

IUPAC4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
SMILESCc1cccc(OCc2csc(C(=O)Nc3ccccc3)c2)c1C
InChIInChI=1S/C20H19NO2S/c1-14-7-6-10-18(15(14)2)23-12-16-11-19(24-13-16)20(22)21-17-8-4-3-5-9-17/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyOVPXRDHBUNZLON-UHFFFAOYSA-N
MW337.44 g/mol
LogP5.20
Rot. Bonds5

About 4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide

4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide (PubChem CID 19495261) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
PubChem CID19495261
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
SMILESCc1cccc(OCc2csc(C(=O)Nc3ccccc3)c2)c1C
InChIInChI=1S/C20H19NO2S/c1-14-7-6-10-18(15(14)2)23-12-16-11-19(24-13-16)20(22)21-17-8-4-3-5-9-17/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyOVPXRDHBUNZLON-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

4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19486991
N-(1-benzylpyrazol-4-yl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19495262
N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498782
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19495311
N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19495299
4-[(2,3-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 19495414
4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19486975
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
N-(2-adamantyl)-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19495267
N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486859
4-[(2,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19471555
4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19469618

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide?
The IUPAC name of 4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide (CID 19495261) is 4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide?
The canonical SMILES for 4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide is Cc1cccc(OCc2csc(C(=O)Nc3ccccc3)c2)c1C.
What is the InChIKey of 4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide?
The InChIKey is OVPXRDHBUNZLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-14-7-6-10-18(15(14)2)23-12-16-11-19(24-13-16)20(22)21-17-8-4-3-5-9-17/h3-11,13H,12H2,1-2H3,(H,21,22).
What are the key properties of 4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide?
4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-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 4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 19495261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).