N-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C14H13NO2S — CID 18134735

IUPACN-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccco1)C1Cc2ccccc2S1
InChIInChI=1S/C14H13NO2S/c16-14(15-9-11-5-3-7-17-11)13-8-10-4-1-2-6-12(10)18-13/h1-7,13H,8-9H2,(H,15,16)
InChIKeyQGXUXLHCCUFIQG-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.61
Rot. Bonds3

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

N-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 18134735) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID18134735
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC NameN-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccco1)C1Cc2ccccc2S1
InChIInChI=1S/C14H13NO2S/c16-14(15-9-11-5-3-7-17-11)13-8-10-4-1-2-6-12(10)18-13/h1-7,13H,8-9H2,(H,15,16)
InChIKeyQGXUXLHCCUFIQG-UHFFFAOYSA-N
XLogP2.61
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
(2R)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804538
N-[(4-bromothiophen-2-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55801902
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 16649113
1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 5237325
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217188
N-(4-aminobutyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214512
N-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44667925
N-[(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 60565621
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51313177

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 18134735) is N-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(NCc1ccco1)C1Cc2ccccc2S1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is QGXUXLHCCUFIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c16-14(15-9-11-5-3-7-17-11)13-8-10-4-1-2-6-12(10)18-13/h1-7,13H,8-9H2,(H,15,16).
What are the key properties of N-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 2.61, 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)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18134735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).