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

C12H16N2O2S — CID 3153454

IUPAC2-(butanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCCCC(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C12H16N2O2S/c1-2-4-9(15)14-12-10(11(13)16)7-5-3-6-8(7)17-12/h2-6H2,1H3,(H2,13,16)(H,14,15)
InChIKeyQZOJEWOTMVPFPA-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.07
Rot. Bonds4

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

2-(butanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 3153454) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(butanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(butanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID3153454
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-(butanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCCCC(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C12H16N2O2S/c1-2-4-9(15)14-12-10(11(13)16)7-5-3-6-8(7)17-12/h2-6H2,1H3,(H2,13,16)(H,14,15)
InChIKeyQZOJEWOTMVPFPA-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-(butanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 3153454) is 2-(butanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-(butanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-(butanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is CCCC(=O)Nc1sc2c(c1C(N)=O)CCC2.
What is the InChIKey of 2-(butanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is QZOJEWOTMVPFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-2-4-9(15)14-12-10(11(13)16)7-5-3-6-8(7)17-12/h2-6H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 2-(butanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-(butanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 3153454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).