N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide

C15H13NO2S — CID 8868004

IUPACN-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCc2ccco2)sc2ccccc12
InChIInChI=1S/C15H13NO2S/c1-10-12-6-2-3-7-13(12)19-14(10)15(17)16-9-11-5-4-8-18-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyCNUBZOVRLLFHTI-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.73
Rot. Bonds3

About N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide

N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 8868004) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID8868004
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC NameN-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCc2ccco2)sc2ccccc12
InChIInChI=1S/C15H13NO2S/c1-10-12-6-2-3-7-13(12)19-14(10)15(17)16-9-11-5-4-8-18-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyCNUBZOVRLLFHTI-UHFFFAOYSA-N
XLogP3.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 110889129
dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium
CID 8533507
3-chloro-N-(furan-2-ylmethylcarbamothioyl)-1-benzothiophene-2-carboxamide
CID 1243571
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(3-methyl-1-benzothiophen-2-yl)ethanone
CID 9380568
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 7395243
N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
CID 7576752
2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 82119492
N-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide
CID 16749979
N-(furan-2-ylmethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 70669405
N-(furan-2-ylmethyl)-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39084661
1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide
CID 110497370
N-(furan-2-ylmethyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7732316

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide (CID 8868004) is N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NCc2ccco2)sc2ccccc12.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is CNUBZOVRLLFHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-10-12-6-2-3-7-13(12)19-14(10)15(17)16-9-11-5-4-8-18-11/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide?
N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 8868004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).