N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide

C14H14N2O3S — CID 667938

IUPACN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2
InChIInChI=1S/C14H14N2O3S/c15-12(17)11-8-4-1-2-6-10(8)20-14(11)16-13(18)9-5-3-7-19-9/h3,5,7H,1-2,4,6H2,(H2,15,17)(H,16,18)
InChIKeyGSNWXJAEJBDJPG-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.57
Rot. Bonds3

About N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide

N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide (PubChem CID 667938) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
PubChem CID667938
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2
InChIInChI=1S/C14H14N2O3S/c15-12(17)11-8-4-1-2-6-10(8)20-14(11)16-13(18)9-5-3-7-19-9/h3,5,7H,1-2,4,6H2,(H2,15,17)(H,16,18)
InChIKeyGSNWXJAEJBDJPG-UHFFFAOYSA-N
XLogP2.57
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide (CID 667938) is N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide is NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2.
What is the InChIKey of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide?
The InChIKey is GSNWXJAEJBDJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c15-12(17)11-8-4-1-2-6-10(8)20-14(11)16-13(18)9-5-3-7-19-9/h3,5,7H,1-2,4,6H2,(H2,15,17)(H,16,18).
What are the key properties of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide?
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide is sourced from PubChem (CID 667938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).