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

C11H14N2O2S — CID 3000134

IUPAC2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCCC(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C11H14N2O2S/c1-2-8(14)13-11-9(10(12)15)6-4-3-5-7(6)16-11/h2-5H2,1H3,(H2,12,15)(H,13,14)
InChIKeyZYDMQXKCDBWAEH-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.68
Rot. Bonds3

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

2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 3000134) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID3000134
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCCC(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C11H14N2O2S/c1-2-8(14)13-11-9(10(12)15)6-4-3-5-7(6)16-11/h2-5H2,1H3,(H2,12,15)(H,13,14)
InChIKeyZYDMQXKCDBWAEH-UHFFFAOYSA-N
XLogP1.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-((Cyclopropylcarbonyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 673481
2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
CID 596881
2-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide
CID 712900
2-(2-chloroacetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
CID 3518628
2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 675164
methyl N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamate
CID 2162673
2-[(2-Ethylbutanoyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3652254
2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 678521
2-(Acetylamino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxamide
CID 887901
2-[(2,2-dimethylpropanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3260381
2-Methyl-3,5,6,7-Tetrahydro-4h-Cyclopenta[4,5]thieno[2,3-D]pyrimidin-4-One
CID 2807595
5-Benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675873

Frequently Asked Questions

What is the IUPAC name of 2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 3000134) is 2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is CCC(=O)Nc1sc2c(c1C(N)=O)CCC2.
What is the InChIKey of 2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is ZYDMQXKCDBWAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-2-8(14)13-11-9(10(12)15)6-4-3-5-7(6)16-11/h2-5H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 238.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 3000134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).