1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

C17H18N2O2S — CID 4782295

IUPAC1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H18N2O2S/c20-16-9-14(17(21)18-10-15-7-4-8-22-15)12-19(16)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2,(H,18,21)
InChIKeyNVDSTFWXXITFER-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.41
Rot. Bonds5

About 1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 4782295) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID4782295
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H18N2O2S/c20-16-9-14(17(21)18-10-15-7-4-8-22-15)12-19(16)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2,(H,18,21)
InChIKeyNVDSTFWXXITFER-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7830959
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 16920317
(3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide
CID 8008983
1-benzyl-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108539005
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
1-benzyl-N-[2-(3-chloropropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572361
(3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 36903548
(3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 41468767
methyl (3S)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylate
CID 6932471
1-benzyl-5-oxo-N-[2-(oxolane-2-carbonylamino)ethyl]pyrrolidine-3-carboxamide
CID 108541036
1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 119431391
1-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 78868466

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 4782295) is 1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1cccs1)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is NVDSTFWXXITFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-16-9-14(17(21)18-10-15-7-4-8-22-15)12-19(16)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2,(H,18,21).
What are the key properties of 1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 4782295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).