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

C13H11BrN2O3S — CID 11233555

IUPAC7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)C2CC2)sc2c(Br)c(O)ccc12
InChIInChI=1S/C13H11BrN2O3S/c14-9-7(17)4-3-6-8(11(15)18)13(20-10(6)9)16-12(19)5-1-2-5/h3-5,17H,1-2H2,(H2,15,18)(H,16,19)
InChIKeyUASQKRWKYGWLMV-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.82
Rot. Bonds3

About 7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide

7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide (PubChem CID 11233555) has the molecular formula C13H11BrN2O3S and a molecular weight of 355.21 g/mol. Its IUPAC name is 7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide
PubChem CID11233555
Molecular FormulaC13H11BrN2O3S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC Name7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)C2CC2)sc2c(Br)c(O)ccc12
InChIInChI=1S/C13H11BrN2O3S/c14-9-7(17)4-3-6-8(11(15)18)13(20-10(6)9)16-12(19)5-1-2-5/h3-5,17H,1-2H2,(H2,15,18)(H,16,19)
InChIKeyUASQKRWKYGWLMV-UHFFFAOYSA-N
XLogP2.82
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide
CID 59014232
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
2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide
CID 11380311
6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride
CID 69450421
6,6-dibromo-2-(cyclopropanecarbonylamino)-7-oxo-4,5-dihydro-1-benzothiophene-3-carboxamide
CID 59014248
2-(cyclopropanecarbonylamino)-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 59014280
2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide
CID 167713872
7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide
CID 69449677
2-(cyclopropanecarbonylamino)-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide
CID 59014261
(6E)-2-(cyclopropanecarbonylamino)-6-hydroxyimino-5,7-dihydro-4H-1-benzothiophene-3-carboxamide
CID 87837050
2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69447060
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 4142881

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide?
The IUPAC name of 7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide (CID 11233555) is 7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide?
The canonical SMILES for 7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide is NC(=O)c1c(NC(=O)C2CC2)sc2c(Br)c(O)ccc12.
What is the InChIKey of 7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide?
The InChIKey is UASQKRWKYGWLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3S/c14-9-7(17)4-3-6-8(11(15)18)13(20-10(6)9)16-12(19)5-1-2-5/h3-5,17H,1-2H2,(H2,15,18)(H,16,19).
What are the key properties of 7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide?
7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide has a molecular weight of 355.21 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 11233555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).