N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide

C13H12N2O3S — CID 732278

IUPACN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2
InChIInChI=1S/C13H12N2O3S/c14-11(16)10-7-3-1-5-9(7)19-13(10)15-12(17)8-4-2-6-18-8/h2,4,6H,1,3,5H2,(H2,14,16)(H,15,17)
InChIKeyDWJNWVICUPNAFY-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.18
Rot. Bonds3

About N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide

N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide (PubChem CID 732278) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide
PubChem CID732278
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2
InChIInChI=1S/C13H12N2O3S/c14-11(16)10-7-3-1-5-9(7)19-13(10)15-12(17)8-4-2-6-18-8/h2,4,6H,1,3,5H2,(H2,14,16)(H,15,17)
InChIKeyDWJNWVICUPNAFY-UHFFFAOYSA-N
XLogP2.18
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide (CID 732278) is N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide is NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2.
What is the InChIKey of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide?
The InChIKey is DWJNWVICUPNAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c14-11(16)10-7-3-1-5-9(7)19-13(10)15-12(17)8-4-2-6-18-8/h2,4,6H,1,3,5H2,(H2,14,16)(H,15,17).
What are the key properties of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide?
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide is sourced from PubChem (CID 732278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).