2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide

C13H12N2O3S — CID 59014232

IUPAC2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)C2CC2)sc2cc(O)ccc12
InChIInChI=1S/C13H12N2O3S/c14-11(17)10-8-4-3-7(16)5-9(8)19-13(10)15-12(18)6-1-2-6/h3-6,16H,1-2H2,(H2,14,17)(H,15,18)
InChIKeyIRGDWCYEVGAZIE-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.05
Rot. Bonds3

About 2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide

2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide (PubChem CID 59014232) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide
PubChem CID59014232
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)C2CC2)sc2cc(O)ccc12
InChIInChI=1S/C13H12N2O3S/c14-11(17)10-8-4-3-7(16)5-9(8)19-13(10)15-12(18)6-1-2-6/h3-6,16H,1-2H2,(H2,14,17)(H,15,18)
InChIKeyIRGDWCYEVGAZIE-UHFFFAOYSA-N
XLogP2.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide
CID 11380311
7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide
CID 11233555
6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide
CID 11210016
2-[(4-cyano-3-cyclopropyl-1,2-oxazol-5-yl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide
CID 11269082
ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate
CID 5201131
2-[(4-bromophenyl)carbamoylamino]-6-methyl-1-benzothiophene-3-carboxamide
CID 11281142
6-bromo-2-(cyclopropanecarbonylamino)-7-hydroxy-1-benzothiophene-3-carboxamide;6,6-dibromo-2-(cyclopropanecarbonylamino)-7-oxo-4,5-dihydro-1-benzothiophene-3-carboxamide
CID 157060682
6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride
CID 69450421
N-(6-hydroxy-1H-indazol-3-yl)cyclopropanecarboxamide
CID 135546358
2-(cyclopropanecarbonylamino)-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 59014280
6,6-dibromo-2-(cyclopropanecarbonylamino)-7-oxo-4,5-dihydro-1-benzothiophene-3-carboxamide
CID 59014248
2-(cyclopropanecarbonylamino)-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide
CID 59014261

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide (CID 59014232) is 2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide is NC(=O)c1c(NC(=O)C2CC2)sc2cc(O)ccc12.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide?
The InChIKey is IRGDWCYEVGAZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c14-11(17)10-8-4-3-7(16)5-9(8)19-13(10)15-12(18)6-1-2-6/h3-6,16H,1-2H2,(H2,14,17)(H,15,18).
What are the key properties of 2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide?
2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 59014232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).