N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide

C16H15NO2S — CID 86950363

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1cc(CNC(=O)c2cc3ccccc3s2)c(C)o1
InChIInChI=1S/C16H15NO2S/c1-10-7-13(11(2)19-10)9-17-16(18)15-8-12-5-3-4-6-14(12)20-15/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyHLAAYMBGJDOLMI-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.04
Rot. Bonds3

About N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide

N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 86950363) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID86950363
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1cc(CNC(=O)c2cc3ccccc3s2)c(C)o1
InChIInChI=1S/C16H15NO2S/c1-10-7-13(11(2)19-10)9-17-16(18)15-8-12-5-3-4-6-14(12)20-15/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyHLAAYMBGJDOLMI-UHFFFAOYSA-N
XLogP4.04
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
CID 47008465
N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 32603799
5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide
CID 90536055
N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115577883
N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 86950498
N-(1,3-benzodioxol-5-ylmethyl)-1-benzothiophene-2-carboxamide
CID 2810328
4-[(1-benzothiophene-2-carbonylamino)methyl]benzoic acid
CID 45302589
N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 63311495
N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119430331
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 65109783
N-[(4-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 70919647

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide (CID 86950363) is N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide is Cc1cc(CNC(=O)c2cc3ccccc3s2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is HLAAYMBGJDOLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-10-7-13(11(2)19-10)9-17-16(18)15-8-12-5-3-4-6-14(12)20-15/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 86950363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).