N-(2-ethoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C15H16N2O2S — CID 34879706

IUPACN-(2-ethoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCCOc1ncccc1NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C15H16N2O2S/c1-2-19-15-11(6-4-8-16-15)17-14(18)13-9-10-5-3-7-12(10)20-13/h4,6,8-9H,2-3,5,7H2,1H3,(H,17,18)
InChIKeyDXNMKCNEFPQOJK-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.28
Rot. Bonds4

About N-(2-ethoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(2-ethoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 34879706) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(2-ethoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID34879706
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(2-ethoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCCOc1ncccc1NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C15H16N2O2S/c1-2-19-15-11(6-4-8-16-15)17-14(18)13-9-10-5-3-7-12(10)20-13/h4,6,8-9H,2-3,5,7H2,1H3,(H,17,18)
InChIKeyDXNMKCNEFPQOJK-UHFFFAOYSA-N
XLogP3.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(2-ethoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 34879706) is N-(2-ethoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-ethoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(2-ethoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is CCOc1ncccc1NC(=O)c1cc2c(s1)CCC2.
What is the InChIKey of N-(2-ethoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is DXNMKCNEFPQOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-19-15-11(6-4-8-16-15)17-14(18)13-9-10-5-3-7-12(10)20-13/h4,6,8-9H,2-3,5,7H2,1H3,(H,17,18).
What are the key properties of N-(2-ethoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(2-ethoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 34879706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).