5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide

C12H13ClN2O2S — CID 71789241

IUPAC5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide
SMILESO=C(NC1CC(=O)N(C2CC2)C1)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2O2S/c13-10-4-3-9(18-10)12(17)14-7-5-11(16)15(6-7)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,14,17)
InChIKeyUVXWSDWLMOKHHT-UHFFFAOYSA-N
MW284.77 g/mol
LogP1.89
Rot. Bonds3

About 5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide

5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide (PubChem CID 71789241) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide
PubChem CID71789241
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide
SMILESO=C(NC1CC(=O)N(C2CC2)C1)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2O2S/c13-10-4-3-9(18-10)12(17)14-7-5-11(16)15(6-7)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,14,17)
InChIKeyUVXWSDWLMOKHHT-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclopentylthiophene-2-carboxamide
CID 1244060
5-chloro-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 1246546
N,N'-butane-1,4-diylbis(5-chlorothiophene-2-carboxamide)
CID 3100298
(5-Chlorothiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 1247382
5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide
CID 45236630
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 45812869
n-(1-(5-Chlorothiophen-2-yl)ethyl)thiophene-2-carboxamide
CID 45879082
3-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-cyclopropylpropanamide
CID 51077583
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopropylpropanamide
CID 51077584
[1-(5-Chlorothiophene-2-carbonyl)piperidin-2-yl]methylurea
CID 53607981
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide
CID 71789221
(3R*,4S*)-1-[(3-chloro-2-thienyl)carbonyl]-4-cyclopropylpyrrolidin-3-amine
CID 72925738

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide (CID 71789241) is 5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide is O=C(NC1CC(=O)N(C2CC2)C1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide?
The InChIKey is UVXWSDWLMOKHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c13-10-4-3-9(18-10)12(17)14-7-5-11(16)15(6-7)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,14,17).
What are the key properties of 5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide?
5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide has a molecular weight of 284.77 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 71789241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).