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

C10H9NO3S — CID 71714531

IUPACN,5-dihydroxy-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1cc2sc(C(=O)NO)cc2cc1O
InChIInChI=1S/C10H9NO3S/c1-5-2-8-6(3-7(5)12)4-9(15-8)10(13)11-14/h2-4,12,14H,1H3,(H,11,13)
InChIKeyCFBYXRJSPSMTKX-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.03
Rot. Bonds1

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

N,5-dihydroxy-6-methyl-1-benzothiophene-2-carboxamide (PubChem CID 71714531) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is N,5-dihydroxy-6-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN,5-dihydroxy-6-methyl-1-benzothiophene-2-carboxamide
PubChem CID71714531
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC NameN,5-dihydroxy-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1cc2sc(C(=O)NO)cc2cc1O
InChIInChI=1S/C10H9NO3S/c1-5-2-8-6(3-7(5)12)4-9(15-8)10(13)11-14/h2-4,12,14H,1H3,(H,11,13)
InChIKeyCFBYXRJSPSMTKX-UHFFFAOYSA-N
XLogP2.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,5-dihydroxy-6-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N,5-dihydroxy-6-methyl-1-benzothiophene-2-carboxamide (CID 71714531) is N,5-dihydroxy-6-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N,5-dihydroxy-6-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N,5-dihydroxy-6-methyl-1-benzothiophene-2-carboxamide is Cc1cc2sc(C(=O)NO)cc2cc1O.
What is the InChIKey of N,5-dihydroxy-6-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is CFBYXRJSPSMTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-5-2-8-6(3-7(5)12)4-9(15-8)10(13)11-14/h2-4,12,14H,1H3,(H,11,13).
What are the key properties of N,5-dihydroxy-6-methyl-1-benzothiophene-2-carboxamide?
N,5-dihydroxy-6-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 2.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dihydroxy-6-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 71714531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).