N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide

C24H19NO3S — CID 19938182

IUPACN-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccs1
InChIInChI=1S/C24H19NO3S/c26-18-11-7-16(8-12-18)23(17-9-13-19(27)14-10-17)20-4-1-2-5-21(20)25-24(28)22-6-3-15-29-22/h1-15,23,26-27H,(H,25,28)
InChIKeyCKFZFYWAYAXGJC-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.59
Rot. Bonds5

About N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide

N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide (PubChem CID 19938182) has the molecular formula C24H19NO3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide
PubChem CID19938182
Molecular FormulaC24H19NO3S
Molecular Weight401.49 g/mol
Exact Mass401.11
IUPAC NameN-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccs1
InChIInChI=1S/C24H19NO3S/c26-18-11-7-16(8-12-18)23(17-9-13-19(27)14-10-17)20-4-1-2-5-21(20)25-24(28)22-6-3-15-29-22/h1-15,23,26-27H,(H,25,28)
InChIKeyCKFZFYWAYAXGJC-UHFFFAOYSA-N
XLogP5.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
CID 114298046
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide
CID 50882577
N-[2-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25497398
N-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55534918
N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 4948035
N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide
CID 668928
N-(2-phenyldiazenylphenyl)thiophene-2-carboxamide
CID 132506716
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
CID 63372873
N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 111483577

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide (CID 19938182) is N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccs1.
What is the InChIKey of N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is CKFZFYWAYAXGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3S/c26-18-11-7-16(8-12-18)23(17-9-13-19(27)14-10-17)20-4-1-2-5-21(20)25-24(28)22-6-3-15-29-22/h1-15,23,26-27H,(H,25,28).
What are the key properties of N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide?
N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 5.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19938182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).