2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

C16H22N2O3S — CID 122174759

IUPAC2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCC2CCCO2)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C16H22N2O3S/c1-16(15(20)17-10-12-4-2-8-21-12)7-6-14(19)18(16)11-13-5-3-9-22-13/h3,5,9,12H,2,4,6-8,10-11H2,1H3,(H,17,20)
InChIKeyFWCAYLXYISGKMP-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.92
Rot. Bonds5

About 2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 122174759) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID122174759
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCC2CCCO2)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C16H22N2O3S/c1-16(15(20)17-10-12-4-2-8-21-12)7-6-14(19)18(16)11-13-5-3-9-22-13/h3,5,9,12H,2,4,6-8,10-11H2,1H3,(H,17,20)
InChIKeyFWCAYLXYISGKMP-UHFFFAOYSA-N
XLogP1.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[2-oxolanylmethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-2-thiophen-2-ylacetamide
CID 647779
N-cyclopentyl-1-[(tetrahydrofuran-2-ylmethyl)(thiophen-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3964655
N-cyclohexyl-N~2~-(tetrahydrofuran-2-ylmethyl)-N~2~-(thiophen-2-ylacetyl)isovalinamide
CID 4233826
N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 4306436
N-cyclopentyl-2-methyl-5-oxo-1-(thien-2-ylmethyl)prolinamide
CID 3239395
5-oxoprolyl-N-cyclopentyl-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3537066
N-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide
CID 97459649
N-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide
CID 2931908
N-cycloheptyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 3371282
N-butan-2-yl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 3371283
5-oxoprolyl-N-cyclohexyl-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3505948
2-Methyl-N-(3-methylbutyl)-5-oxo-1-[(thiophen-2-YL)methyl]pyrrolidine-2-carboxamide
CID 45106051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 122174759) is 2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is CC1(C(=O)NCC2CCCO2)CCC(=O)N1Cc1cccs1.
What is the InChIKey of 2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is FWCAYLXYISGKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-16(15(20)17-10-12-4-2-8-21-12)7-6-14(19)18(16)11-13-5-3-9-22-13/h3,5,9,12H,2,4,6-8,10-11H2,1H3,(H,17,20).
What are the key properties of 2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 122174759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).