2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C15H14N2O2S — CID 712900

IUPAC2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2
InChIInChI=1S/C15H14N2O2S/c16-13(18)12-10-7-4-8-11(10)20-15(12)17-14(19)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,16,18)(H,17,19)
InChIKeyWUXSRILVTCNVAY-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.59
Rot. Bonds3

About 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 712900) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID712900
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2
InChIInChI=1S/C15H14N2O2S/c16-13(18)12-10-7-4-8-11(10)20-15(12)17-14(19)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,16,18)(H,17,19)
InChIKeyWUXSRILVTCNVAY-UHFFFAOYSA-N
XLogP2.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 712900) is 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2.
What is the InChIKey of 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is WUXSRILVTCNVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c16-13(18)12-10-7-4-8-11(10)20-15(12)17-14(19)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,16,18)(H,17,19).
What are the key properties of 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 712900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).