N-(3-methoxypropyl)-2-methyl-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide

C16H24N2O3S — CID 46363667

IUPACN-(3-methoxypropyl)-2-methyl-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
SMILESCOCCCNC(=O)C1(C)CCC(=O)N1CCc1cccs1
InChIInChI=1S/C16H24N2O3S/c1-16(15(20)17-9-4-11-21-2)8-6-14(19)18(16)10-7-13-5-3-12-22-13/h3,5,12H,4,6-11H2,1-2H3,(H,17,20)
InChIKeyQZKMEESMPDUCRD-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.82
Rot. Bonds8

About N-(3-methoxypropyl)-2-methyl-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide

N-(3-methoxypropyl)-2-methyl-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 46363667) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-methyl-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-methyl-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
PubChem CID46363667
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(3-methoxypropyl)-2-methyl-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
SMILESCOCCCNC(=O)C1(C)CCC(=O)N1CCc1cccs1
InChIInChI=1S/C16H24N2O3S/c1-16(15(20)17-9-4-11-21-2)8-6-14(19)18(16)10-7-13-5-3-12-22-13/h3,5,12H,4,6-11H2,1-2H3,(H,17,20)
InChIKeyQZKMEESMPDUCRD-UHFFFAOYSA-N
XLogP1.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.82
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-methyl-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-methyl-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide (CID 46363667) is N-(3-methoxypropyl)-2-methyl-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-methyl-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-methyl-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide is COCCCNC(=O)C1(C)CCC(=O)N1CCc1cccs1.
What is the InChIKey of N-(3-methoxypropyl)-2-methyl-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is QZKMEESMPDUCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-16(15(20)17-9-4-11-21-2)8-6-14(19)18(16)10-7-13-5-3-12-22-13/h3,5,12H,4,6-11H2,1-2H3,(H,17,20).
What are the key properties of N-(3-methoxypropyl)-2-methyl-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide?
N-(3-methoxypropyl)-2-methyl-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-methyl-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46363667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).