N-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide

C14H11NO2S2 — CID 166202482

IUPACN-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide
SMILESO=C(NCc1csc2ccccc12)c1cc(O)cs1
InChIInChI=1S/C14H11NO2S2/c16-10-5-13(19-8-10)14(17)15-6-9-7-18-12-4-2-1-3-11(9)12/h1-5,7-8,16H,6H2,(H,15,17)
InChIKeyOFSWSSOROYPFMG-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.60
Rot. Bonds3

About N-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide

N-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide (PubChem CID 166202482) has the molecular formula C14H11NO2S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide
PubChem CID166202482
Molecular FormulaC14H11NO2S2
Molecular Weight289.38 g/mol
Exact Mass289.02
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide
SMILESO=C(NCc1csc2ccccc12)c1cc(O)cs1
InChIInChI=1S/C14H11NO2S2/c16-10-5-13(19-8-10)14(17)15-6-9-7-18-12-4-2-1-3-11(9)12/h1-5,7-8,16H,6H2,(H,15,17)
InChIKeyOFSWSSOROYPFMG-UHFFFAOYSA-N
XLogP3.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzothiophen-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 46261254
2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide
CID 142955391
N-(1-benzothiophen-3-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 55785711
3-(1-benzothiophen-3-ylmethylamino)-2-methyl-3-oxopropanoic acid
CID 115164300
2-(1-benzothiophen-3-ylmethylamino)acetic acid
CID 62699978
2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 4119329
N-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107028283
N-(1-benzothiophen-3-ylmethyl)-2-cyanobutanamide
CID 115188332
2-amino-N-(1-benzothiophen-3-ylmethyl)-3-methoxypropanamide
CID 120986246
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
CID 161370454
N-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 55747538
2-(1-benzothiophen-3-ylmethylamino)ethanol
CID 60705162

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide (CID 166202482) is N-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide is O=C(NCc1csc2ccccc12)c1cc(O)cs1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide?
The InChIKey is OFSWSSOROYPFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S2/c16-10-5-13(19-8-10)14(17)15-6-9-7-18-12-4-2-1-3-11(9)12/h1-5,7-8,16H,6H2,(H,15,17).
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide?
N-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-4-hydroxythiophene-2-carboxamide is sourced from PubChem (CID 166202482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).