N-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide

C24H19NO2S — CID 46899922

IUPACN-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(-c2cccc(O)c2)s1
InChIInChI=1S/C24H19NO2S/c26-20-13-7-12-19(16-20)21-14-15-22(28-21)24(27)25-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16,23,26H,(H,25,27)
InChIKeyWSQDDOJOJZYQMI-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.64
Rot. Bonds5

About N-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide

N-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide (PubChem CID 46899922) has the molecular formula C24H19NO2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide
PubChem CID46899922
Molecular FormulaC24H19NO2S
Molecular Weight385.49 g/mol
Exact Mass385.11
IUPAC NameN-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(-c2cccc(O)c2)s1
InChIInChI=1S/C24H19NO2S/c26-20-13-7-12-19(16-20)21-14-15-22(28-21)24(27)25-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16,23,26H,(H,25,27)
InChIKeyWSQDDOJOJZYQMI-UHFFFAOYSA-N
XLogP5.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide (CID 46899922) is N-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)c1ccc(-c2cccc(O)c2)s1.
What is the InChIKey of N-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide?
The InChIKey is WSQDDOJOJZYQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2S/c26-20-13-7-12-19(16-20)21-14-15-22(28-21)24(27)25-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16,23,26H,(H,25,27).
What are the key properties of N-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide?
N-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 46899922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).