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

C17H18N2O2S — CID 95739125

IUPAC(2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CCC(=O)N1Cc1cccs1
InChIInChI=1S/C17H18N2O2S/c20-16-9-8-15(19(16)12-14-7-4-10-22-14)17(21)18-11-13-5-2-1-3-6-13/h1-7,10,15H,8-9,11-12H2,(H,18,21)/t15-/m1/s1
InChIKeyYIGDPDJYGIEYQF-OAHLLOKOSA-N
MW314.41 g/mol
LogP2.56
Rot. Bonds5

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

(2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 95739125) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is (2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID95739125
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name(2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CCC(=O)N1Cc1cccs1
InChIInChI=1S/C17H18N2O2S/c20-16-9-8-15(19(16)12-14-7-4-10-22-14)17(21)18-11-13-5-2-1-3-6-13/h1-7,10,15H,8-9,11-12H2,(H,18,21)/t15-/m1/s1
InChIKeyYIGDPDJYGIEYQF-OAHLLOKOSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56731000
(2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739094
(2S)-N-[(4-fluorophenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739130
N-[(3-methylphenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730995
N-[(2-methylphenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730994
5-oxo-N-(pyridin-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730999
(2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide
CID 15682110
(2S)-N-[3-(dimethylamino)propyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739080
N-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide
CID 21291420
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
(2S)-N,N-dimethyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1477416
N-(4-methoxyphenyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 4679189

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 95739125) is (2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1ccccc1)[C@H]1CCC(=O)N1Cc1cccs1.
What is the InChIKey of (2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is YIGDPDJYGIEYQF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-16-9-8-15(19(16)12-14-7-4-10-22-14)17(21)18-11-13-5-2-1-3-6-13/h1-7,10,15H,8-9,11-12H2,(H,18,21)/t15-/m1/s1.
What are the key properties of (2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
(2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95739125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).