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

C13H9N3O4S — CID 2295461

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide
SMILESN#Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCC2
InChIInChI=1S/C13H9N3O4S/c14-6-8-7-2-1-3-10(7)21-13(8)15-12(17)9-4-5-11(20-9)16(18)19/h4-5H,1-3H2,(H,15,17)
InChIKeyCBSZVPKUGQCGOE-UHFFFAOYSA-N
MW303.30 g/mol
LogP2.86
Rot. Bonds3

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

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide (PubChem CID 2295461) has the molecular formula C13H9N3O4S and a molecular weight of 303.30 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide
PubChem CID2295461
Molecular FormulaC13H9N3O4S
Molecular Weight303.30 g/mol
Exact Mass303.03
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide
SMILESN#Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCC2
InChIInChI=1S/C13H9N3O4S/c14-6-8-7-2-1-3-10(7)21-13(8)15-12(17)9-4-5-11(20-9)16(18)19/h4-5H,1-3H2,(H,15,17)
InChIKeyCBSZVPKUGQCGOE-UHFFFAOYSA-N
XLogP2.86
TPSA109.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide (CID 2295461) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide is N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is CBSZVPKUGQCGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4S/c14-6-8-7-2-1-3-10(7)21-13(8)15-12(17)9-4-5-11(20-9)16(18)19/h4-5H,1-3H2,(H,15,17).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 303.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 2295461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).