6-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]-1-benzothiophene-3-carboxamide

C14H14N2O3S — CID 11266261

IUPAC6-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]-1-benzothiophene-3-carboxamide
SMILESCC1CC1C(=O)Nc1sc2cc(O)ccc2c1C(N)=O
InChIInChI=1S/C14H14N2O3S/c1-6-4-9(6)13(19)16-14-11(12(15)18)8-3-2-7(17)5-10(8)20-14/h2-3,5-6,9,17H,4H2,1H3,(H2,15,18)(H,16,19)
InChIKeyDBRAPYUTUJBABB-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.30
Rot. Bonds3

About 6-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]-1-benzothiophene-3-carboxamide

6-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]-1-benzothiophene-3-carboxamide (PubChem CID 11266261) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 6-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]-1-benzothiophene-3-carboxamide
PubChem CID11266261
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name6-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]-1-benzothiophene-3-carboxamide
SMILESCC1CC1C(=O)Nc1sc2cc(O)ccc2c1C(N)=O
InChIInChI=1S/C14H14N2O3S/c1-6-4-9(6)13(19)16-14-11(12(15)18)8-3-2-7(17)5-10(8)20-14/h2-3,5-6,9,17H,4H2,1H3,(H2,15,18)(H,16,19)
InChIKeyDBRAPYUTUJBABB-UHFFFAOYSA-N
XLogP2.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]-1-benzothiophene-3-carboxamide (CID 11266261) is 6-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]-1-benzothiophene-3-carboxamide is CC1CC1C(=O)Nc1sc2cc(O)ccc2c1C(N)=O.
What is the InChIKey of 6-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]-1-benzothiophene-3-carboxamide?
The InChIKey is DBRAPYUTUJBABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-6-4-9(6)13(19)16-14-11(12(15)18)8-3-2-7(17)5-10(8)20-14/h2-3,5-6,9,17H,4H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of 6-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]-1-benzothiophene-3-carboxamide?
6-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]-1-benzothiophene-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 11266261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).