5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide

C14H20N2O2S — CID 47031109

IUPAC5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCC(C)N2CCCC2)s1
InChIInChI=1S/C14H20N2O2S/c1-10(16-7-3-4-8-16)9-15-14(18)13-6-5-12(19-13)11(2)17/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,18)
InChIKeyXDUPLZGWMJCBHB-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.16
Rot. Bonds5

About 5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide

5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 47031109) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
PubChem CID47031109
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCC(C)N2CCCC2)s1
InChIInChI=1S/C14H20N2O2S/c1-10(16-7-3-4-8-16)9-15-14(18)13-6-5-12(19-13)11(2)17/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,18)
InChIKeyXDUPLZGWMJCBHB-UHFFFAOYSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide (CID 47031109) is 5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NCC(C)N2CCCC2)s1.
What is the InChIKey of 5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is XDUPLZGWMJCBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(16-7-3-4-8-16)9-15-14(18)13-6-5-12(19-13)11(2)17/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,18).
What are the key properties of 5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide?
5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 47031109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).