3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide

C15H20ClN3O3S — CID 132972010

IUPAC3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(NC1CC(=O)N(CCN2CCOCC2)C1)c1sccc1Cl
InChIInChI=1S/C15H20ClN3O3S/c16-12-1-8-23-14(12)15(21)17-11-9-13(20)19(10-11)3-2-18-4-6-22-7-5-18/h1,8,11H,2-7,9-10H2,(H,17,21)
InChIKeyFOPAJFWEXAUQSD-UHFFFAOYSA-N
MW357.86 g/mol
LogP1.06
Rot. Bonds5

About 3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide

3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 132972010) has the molecular formula C15H20ClN3O3S and a molecular weight of 357.86 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID132972010
Molecular FormulaC15H20ClN3O3S
Molecular Weight357.86 g/mol
Exact Mass357.09
IUPAC Name3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(NC1CC(=O)N(CCN2CCOCC2)C1)c1sccc1Cl
InChIInChI=1S/C15H20ClN3O3S/c16-12-1-8-23-14(12)15(21)17-11-9-13(20)19(10-11)3-2-18-4-6-22-7-5-18/h1,8,11H,2-7,9-10H2,(H,17,21)
InChIKeyFOPAJFWEXAUQSD-UHFFFAOYSA-N
XLogP1.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 119890308
5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 124609380
3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167895695
2-(cyclopropylmethylamino)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 119890296
1-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119890286
5-methoxy-1-methyl-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-4-oxopyridine-2-carboxamide
CID 166268176
2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800841
N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]morpholine-3-carboxamide
CID 119890268
(4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 164634851
N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119890331
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methylthiophene-2-carboxamide
CID 25308070
N-(1-benzyl-5-oxopyrrolidin-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72905508

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide (CID 132972010) is 3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide is O=C(NC1CC(=O)N(CCN2CCOCC2)C1)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is FOPAJFWEXAUQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3S/c16-12-1-8-23-14(12)15(21)17-11-9-13(20)19(10-11)3-2-18-4-6-22-7-5-18/h1,8,11H,2-7,9-10H2,(H,17,21).
What are the key properties of 3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 357.86 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 132972010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).