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

Related Compounds

(2S)-1-(2,5-dichlorobenzoyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide
CID 35263471
N-[1-(oxolan-2-yl)ethyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 136578840
1-(adamantane-1-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 55609544
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
1-(5-chlorothiophene-2-carbonyl)-N-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 71887117
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 94031387
1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 91953871
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100836454
methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate
CID 35252676
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 100836452
(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513737

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).