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

C16H18N2O3S — CID 95738926

IUPAC(2R)-1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)[C@H]1CCC(=O)N1Cc1ccco1
InChIInChI=1S/C16H18N2O3S/c1-17(11-13-5-3-9-22-13)16(20)14-6-7-15(19)18(14)10-12-4-2-8-21-12/h2-5,8-9,14H,6-7,10-11H2,1H3/t14-/m1/s1
InChIKeyZUOZJXDRQYDEEW-CQSZACIVSA-N
MW318.40 g/mol
LogP2.49
Rot. Bonds5

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

(2R)-1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 95738926) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2R)-1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID95738926
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(2R)-1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)[C@H]1CCC(=O)N1Cc1ccco1
InChIInChI=1S/C16H18N2O3S/c1-17(11-13-5-3-9-22-13)16(20)14-6-7-15(19)18(14)10-12-4-2-8-21-12/h2-5,8-9,14H,6-7,10-11H2,1H3/t14-/m1/s1
InChIKeyZUOZJXDRQYDEEW-CQSZACIVSA-N
XLogP2.49
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739036
(2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 7101881
(2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738945
(2S)-N,N-dimethyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1477416
N-[2-(dimethylamino)-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 71688511
N,1-bis(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78781697
(5R)-5-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 124853639
(5R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100802705
1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 21364431
1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid
CID 117003684
(3S)-N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94014797
(2R)-N-(cyclopentylmethyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738938

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 95738926) is (2R)-1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is CN(Cc1cccs1)C(=O)[C@H]1CCC(=O)N1Cc1ccco1.
What is the InChIKey of (2R)-1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is ZUOZJXDRQYDEEW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-17(11-13-5-3-9-22-13)16(20)14-6-7-15(19)18(14)10-12-4-2-8-21-12/h2-5,8-9,14H,6-7,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
(2R)-1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95738926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).