1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide

C16H21ClN2O3S — CID 71887112

IUPAC1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1C(=O)c1ccc(Cl)s1)C1CCCO1
InChIInChI=1S/C16H21ClN2O3S/c1-10(12-5-3-9-22-12)18-15(20)11-4-2-8-19(11)16(21)13-6-7-14(17)23-13/h6-7,10-12H,2-5,8-9H2,1H3,(H,18,20)
InChIKeyVULBPGYURAJVDI-UHFFFAOYSA-N
MW356.88 g/mol
LogP2.69
Rot. Bonds4

About 1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide

1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 71887112) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is 1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID71887112
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Name1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1C(=O)c1ccc(Cl)s1)C1CCCO1
InChIInChI=1S/C16H21ClN2O3S/c1-10(12-5-3-9-22-12)18-15(20)11-4-2-8-19(11)16(21)13-6-7-14(17)23-13/h6-7,10-12H,2-5,8-9H2,1H3,(H,18,20)
InChIKeyVULBPGYURAJVDI-UHFFFAOYSA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-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 1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide (CID 71887112) is 1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide is CC(NC(=O)C1CCCN1C(=O)c1ccc(Cl)s1)C1CCCO1.
What is the InChIKey of 1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is VULBPGYURAJVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c1-10(12-5-3-9-22-12)18-15(20)11-4-2-8-19(11)16(21)13-6-7-14(17)23-13/h6-7,10-12H,2-5,8-9H2,1H3,(H,18,20).
What are the key properties of 1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide?
1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 356.88 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71887112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).