N-(2-amino-5-thiophen-2-ylphenyl)-5,6-dihydroxy-1-benzothiophene-2-carboxamide

C19H14N2O3S2 — CID 70335885

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-5,6-dihydroxy-1-benzothiophene-2-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1cc2cc(O)c(O)cc2s1
InChIInChI=1S/C19H14N2O3S2/c20-12-4-3-10(16-2-1-5-25-16)6-13(12)21-19(24)18-8-11-7-14(22)15(23)9-17(11)26-18/h1-9,22-23H,20H2,(H,21,24)
InChIKeyLWEPVHDRCPUOQN-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.88
Rot. Bonds3

About N-(2-amino-5-thiophen-2-ylphenyl)-5,6-dihydroxy-1-benzothiophene-2-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-5,6-dihydroxy-1-benzothiophene-2-carboxamide (PubChem CID 70335885) has the molecular formula C19H14N2O3S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-5,6-dihydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-5,6-dihydroxy-1-benzothiophene-2-carboxamide
PubChem CID70335885
Molecular FormulaC19H14N2O3S2
Molecular Weight382.47 g/mol
Exact Mass382.04
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-5,6-dihydroxy-1-benzothiophene-2-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1cc2cc(O)c(O)cc2s1
InChIInChI=1S/C19H14N2O3S2/c20-12-4-3-10(16-2-1-5-25-16)6-13(12)21-19(24)18-8-11-7-14(22)15(23)9-17(11)26-18/h1-9,22-23H,20H2,(H,21,24)
InChIKeyLWEPVHDRCPUOQN-UHFFFAOYSA-N
XLogP4.88
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-5,6-dihydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-5,6-dihydroxy-1-benzothiophene-2-carboxamide (CID 70335885) is N-(2-amino-5-thiophen-2-ylphenyl)-5,6-dihydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-5,6-dihydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-5,6-dihydroxy-1-benzothiophene-2-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1cc2cc(O)c(O)cc2s1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-5,6-dihydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is LWEPVHDRCPUOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S2/c20-12-4-3-10(16-2-1-5-25-16)6-13(12)21-19(24)18-8-11-7-14(22)15(23)9-17(11)26-18/h1-9,22-23H,20H2,(H,21,24).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-5,6-dihydroxy-1-benzothiophene-2-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-5,6-dihydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 4.88, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-5,6-dihydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 70335885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).