N-(2-aminophenyl)-5-hydroxy-1-benzothiophene-2-carboxamide

C15H12N2O2S — CID 141093989

IUPACN-(2-aminophenyl)-5-hydroxy-1-benzothiophene-2-carboxamide
SMILESNc1ccccc1NC(=O)c1cc2cc(O)ccc2s1
InChIInChI=1S/C15H12N2O2S/c16-11-3-1-2-4-12(11)17-15(19)14-8-9-7-10(18)5-6-13(9)20-14/h1-8,18H,16H2,(H,17,19)
InChIKeyBPFJVRSSMLFLOK-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.44
Rot. Bonds2

About N-(2-aminophenyl)-5-hydroxy-1-benzothiophene-2-carboxamide

N-(2-aminophenyl)-5-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 141093989) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID141093989
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-(2-aminophenyl)-5-hydroxy-1-benzothiophene-2-carboxamide
SMILESNc1ccccc1NC(=O)c1cc2cc(O)ccc2s1
InChIInChI=1S/C15H12N2O2S/c16-11-3-1-2-4-12(11)17-15(19)14-8-9-7-10(18)5-6-13(9)20-14/h1-8,18H,16H2,(H,17,19)
InChIKeyBPFJVRSSMLFLOK-UHFFFAOYSA-N
XLogP3.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-hydroxy-1-benzothiophene-2-carboxamide (CID 141093989) is N-(2-aminophenyl)-5-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-hydroxy-1-benzothiophene-2-carboxamide is Nc1ccccc1NC(=O)c1cc2cc(O)ccc2s1.
What is the InChIKey of N-(2-aminophenyl)-5-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is BPFJVRSSMLFLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c16-11-3-1-2-4-12(11)17-15(19)14-8-9-7-10(18)5-6-13(9)20-14/h1-8,18H,16H2,(H,17,19).
What are the key properties of N-(2-aminophenyl)-5-hydroxy-1-benzothiophene-2-carboxamide?
N-(2-aminophenyl)-5-hydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 141093989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).