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

C14H20N2O3S — CID 92726804

IUPAC(2S)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@]1(C)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C14H20N2O3S/c1-14(13(18)15-7-8-19-2)6-5-12(17)16(14)10-11-4-3-9-20-11/h3-4,9H,5-8,10H2,1-2H3,(H,15,18)/t14-/m0/s1
InChIKeyPCRCYPZQMIXACH-AWEZNQCLSA-N
MW296.39 g/mol
LogP1.39
Rot. Bonds6

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

(2S)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 92726804) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID92726804
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(2S)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@]1(C)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C14H20N2O3S/c1-14(13(18)15-7-8-19-2)6-5-12(17)16(14)10-11-4-3-9-20-11/h3-4,9H,5-8,10H2,1-2H3,(H,15,18)/t14-/m0/s1
InChIKeyPCRCYPZQMIXACH-AWEZNQCLSA-N
XLogP1.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730973
(2R)-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92731014
N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 46363694
(2S)-1-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92731044
(2R)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 92731008
(2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 92731010
(2S)-1-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730947
(2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92731000
(2R)-1-(4-ethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730993
N-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-2-thiophen-2-ylacetamide
CID 97397435
1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363647
3-methyl-N-(3-methylbutyl)-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273178

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 92726804) is (2S)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is COCCNC(=O)[C@]1(C)CCC(=O)N1Cc1cccs1.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is PCRCYPZQMIXACH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-14(13(18)15-7-8-19-2)6-5-12(17)16(14)10-11-4-3-9-20-11/h3-4,9H,5-8,10H2,1-2H3,(H,15,18)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 92726804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).