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

C10H12N2O2S — CID 3153446

IUPAC2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCC(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C10H12N2O2S/c1-5(13)12-10-8(9(11)14)6-3-2-4-7(6)15-10/h2-4H2,1H3,(H2,11,14)(H,12,13)
InChIKeyWLIOVNAQJQWQTI-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.29
Rot. Bonds2

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

2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 3153446) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID3153446
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCC(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C10H12N2O2S/c1-5(13)12-10-8(9(11)14)6-3-2-4-7(6)15-10/h2-4H2,1H3,(H2,11,14)(H,12,13)
InChIKeyWLIOVNAQJQWQTI-UHFFFAOYSA-N
XLogP1.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 3153446) is 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is CC(=O)Nc1sc2c(c1C(N)=O)CCC2.
What is the InChIKey of 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is WLIOVNAQJQWQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-5(13)12-10-8(9(11)14)6-3-2-4-7(6)15-10/h2-4H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 224.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 3153446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).