5,6-dihydroxy-N-phenyl-1-benzothiophene-2-carboxamide

C15H11NO3S — CID 164618683

IUPAC5,6-dihydroxy-N-phenyl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2cc(O)c(O)cc2s1
InChIInChI=1S/C15H11NO3S/c17-11-6-9-7-14(20-13(9)8-12(11)18)15(19)16-10-4-2-1-3-5-10/h1-8,17-18H,(H,16,19)
InChIKeyYFQBRKWSZNOTIX-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.56
Rot. Bonds2

About 5,6-dihydroxy-N-phenyl-1-benzothiophene-2-carboxamide

5,6-dihydroxy-N-phenyl-1-benzothiophene-2-carboxamide (PubChem CID 164618683) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 5,6-dihydroxy-N-phenyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5,6-dihydroxy-N-phenyl-1-benzothiophene-2-carboxamide
PubChem CID164618683
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name5,6-dihydroxy-N-phenyl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2cc(O)c(O)cc2s1
InChIInChI=1S/C15H11NO3S/c17-11-6-9-7-14(20-13(9)8-12(11)18)15(19)16-10-4-2-1-3-5-10/h1-8,17-18H,(H,16,19)
InChIKeyYFQBRKWSZNOTIX-UHFFFAOYSA-N
XLogP3.56
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(4-(3-(3,4-Dihydroxyphenyl)acryloyl)phenyl)-2-(thiophen-2-yl)acetamide
CID 53322967
N-(2-hydroxy-5-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 44454621
N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 53319502
(2S)-1-(5,6-dihydroxy-1-benzothiophene-2-carbonyl)-N-phenylpyrrolidine-2-carboxamide
CID 164616638
N-(3-fluorophenyl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 137501923
N-(4-fluorophenyl)-5-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 137518253
5-(4-hydroxyphenyl)-N-(4-methylphenyl)thiophene-2-carboxamide
CID 137518255
5-(4-hydroxyphenyl)-N-(3-methylphenyl)thiophene-2-carboxamide
CID 137518274
N-(2-fluorophenyl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 137518284
N-(3-fluorophenyl)-5-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 137518285
5-(4-hydroxyphenyl)-N-phenylthiophene-2-carboxamide
CID 137518305
5-(3-hydroxyphenyl)-N-(4-methylphenyl)thiophene-2-carboxamide
CID 137518458

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-N-phenyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5,6-dihydroxy-N-phenyl-1-benzothiophene-2-carboxamide (CID 164618683) is 5,6-dihydroxy-N-phenyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5,6-dihydroxy-N-phenyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5,6-dihydroxy-N-phenyl-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1)c1cc2cc(O)c(O)cc2s1.
What is the InChIKey of 5,6-dihydroxy-N-phenyl-1-benzothiophene-2-carboxamide?
The InChIKey is YFQBRKWSZNOTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-11-6-9-7-14(20-13(9)8-12(11)18)15(19)16-10-4-2-1-3-5-10/h1-8,17-18H,(H,16,19).
What are the key properties of 5,6-dihydroxy-N-phenyl-1-benzothiophene-2-carboxamide?
5,6-dihydroxy-N-phenyl-1-benzothiophene-2-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 3.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-N-phenyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 164618683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).