3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide

C18H15NO3S — CID 155806102

IUPAC3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(O)c(C(=O)Nc3ccccc3)s2)cc1
InChIInChI=1S/C18H15NO3S/c1-22-14-9-7-12(8-10-14)16-11-15(20)17(23-16)18(21)19-13-5-3-2-4-6-13/h2-11,20H,1H3,(H,19,21)
InChIKeyNQHJIKMTZQKPNO-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.38
Rot. Bonds4

About 3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide

3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide (PubChem CID 155806102) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide
PubChem CID155806102
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(O)c(C(=O)Nc3ccccc3)s2)cc1
InChIInChI=1S/C18H15NO3S/c1-22-14-9-7-12(8-10-14)16-11-15(20)17(23-16)18(21)19-13-5-3-2-4-6-13/h2-11,20H,1H3,(H,19,21)
InChIKeyNQHJIKMTZQKPNO-UHFFFAOYSA-N
XLogP4.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55834572
3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide
CID 59152264
3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide
CID 166327273
3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 86129650
2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide
CID 7673753
2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 2360763
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide
CID 7131039
4-methoxy-N,2-diphenylbenzamide
CID 156739257
2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide
CID 3303644
methyl 5-(4-methoxyphenyl)-3-(methylamino)thiophene-2-carboxylate
CID 142601231
2-deuterio-4-methoxy-N-phenylbenzamide
CID 141045741

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide?
The IUPAC name of 3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide (CID 155806102) is 3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide is COc1ccc(-c2cc(O)c(C(=O)Nc3ccccc3)s2)cc1.
What is the InChIKey of 3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide?
The InChIKey is NQHJIKMTZQKPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-22-14-9-7-12(8-10-14)16-11-15(20)17(23-16)18(21)19-13-5-3-2-4-6-13/h2-11,20H,1H3,(H,19,21).
What are the key properties of 3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide?
3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 155806102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).