2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid

C15H13NO4S — CID 61406156

IUPAC2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1cc2c(s1)CCC2
InChIInChI=1S/C15H13NO4S/c17-9-4-5-11(10(7-9)15(19)20)16-14(18)13-6-8-2-1-3-12(8)21-13/h4-7,17H,1-3H2,(H,16,18)(H,19,20)
InChIKeyHLLPBVLWPWHCDO-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.89
Rot. Bonds3

About 2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid

2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid (PubChem CID 61406156) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid
PubChem CID61406156
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1cc2c(s1)CCC2
InChIInChI=1S/C15H13NO4S/c17-9-4-5-11(10(7-9)15(19)20)16-14(18)13-6-8-2-1-3-12(8)21-13/h4-7,17H,1-3H2,(H,16,18)(H,19,20)
InChIKeyHLLPBVLWPWHCDO-UHFFFAOYSA-N
XLogP2.89
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_F(2)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 64788914
N-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2683542
methyl 5-methoxy-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)benzoate
CID 51125904
N-(2-carbamoylphenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 47008398
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 43185522
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid
CID 61405863
N-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7788310
N-(3-hydroxy-2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 64792519
N-(2-phenoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2348573
N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2348568
N-[2-(2-aminoethylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 120603902
N-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9459810

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid (CID 61406156) is 2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid is O=C(Nc1ccc(O)cc1C(=O)O)c1cc2c(s1)CCC2.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid?
The InChIKey is HLLPBVLWPWHCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c17-9-4-5-11(10(7-9)15(19)20)16-14(18)13-6-8-2-1-3-12(8)21-13/h4-7,17H,1-3H2,(H,16,18)(H,19,20).
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid?
2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid has a molecular weight of 303.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid is sourced from PubChem (CID 61406156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).