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

C14H20N2O3S — CID 46363704

IUPACN-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1(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)
InChIKeyPCRCYPZQMIXACH-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.39
Rot. Bonds6

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

N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 46363704) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID46363704
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1(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)
InChIKeyPCRCYPZQMIXACH-UHFFFAOYSA-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-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11258581
5-(Morpholinocarbonyl)-1-(2-thienylmethyl)-2-pyrrolidinone
CID 4639573
N-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxo-N-(thiophen-2-ylmethyl)prolinamide
CID 3881425
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4425543
N-(2-methyl-2-morpholin-4-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 16196057
N,N-dimethyl-5-oxo-1-(2-thienylmethyl)-2-pyrrolidinecarboxamide
CID 3811771
1-isopropyl-5-oxo-N-(thien-2-ylmethyl)prolinamide
CID 4139790
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
N~2~-acetyl-N-cyclopentyl-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3240904
N-cyclooctyl-2-methyl-5-oxo-1-(thien-2-ylmethyl)prolinamide
CID 5053118
2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 46943643

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 46363704) is N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is COCCNC(=O)C1(C)CCC(=O)N1Cc1cccs1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is PCRCYPZQMIXACH-UHFFFAOYSA-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).
What are the key properties of N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
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 N-(2-methoxyethyl)-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46363704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).