3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide

C16H13NO3S — CID 86129650

IUPAC3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3ccccc3c2O)cc1
InChIInChI=1S/C16H13NO3S/c1-20-11-8-6-10(7-9-11)17-16(19)15-14(18)12-4-2-3-5-13(12)21-15/h2-9,18H,1H3,(H,17,19)
InChIKeyYWYIUNJSEIWGLK-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.87
Rot. Bonds3

About 3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide

3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 86129650) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide
PubChem CID86129650
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3ccccc3c2O)cc1
InChIInChI=1S/C16H13NO3S/c1-20-11-8-6-10(7-9-11)17-16(19)15-14(18)12-4-2-3-5-13(12)21-15/h2-9,18H,1H3,(H,17,19)
InChIKeyYWYIUNJSEIWGLK-UHFFFAOYSA-N
XLogP3.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.87
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

3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane
CID 160752095
N-[4-[2-(4-chlorophenyl)ethyl]phenyl]-3-hydroxy-1-benzothiophene-2-carboxamide
CID 154375130
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
3,4-dihydroxy-2-N,5-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophene-2,5-dicarboxamide
CID 134218819
3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide
CID 141470890
N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-3-hydroxy-1-benzothiophene-2-carboxamide
CID 54738720
N-(4-methoxyphenyl)anthracene-9-carboxamide
CID 86045651
N-[4-(carbamoylamino)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 33154115
N-(4-methoxyphenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015253
methyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate
CID 3368633
3-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-benzothiophene-2-carboxamide
CID 32943736
3-chloro-N-(4-heptoxyphenyl)-1-benzothiophene-2-carboxamide
CID 4951485

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide (CID 86129650) is 3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide is COc1ccc(NC(=O)c2sc3ccccc3c2O)cc1.
What is the InChIKey of 3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is YWYIUNJSEIWGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-20-11-8-6-10(7-9-11)17-16(19)15-14(18)12-4-2-3-5-13(12)21-15/h2-9,18H,1H3,(H,17,19).
What are the key properties of 3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide?
3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 86129650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).