N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-thiophen-2-ylacetamide

C17H18N2O2S — CID 56826622

IUPACN-(1-benzyl-5-oxopyrrolidin-3-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H18N2O2S/c20-16(10-15-7-4-8-22-15)18-14-9-17(21)19(12-14)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2,(H,18,20)
InChIKeyIWJGMFLCDPYJFH-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.21
Rot. Bonds5

About N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-thiophen-2-ylacetamide

N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-thiophen-2-ylacetamide (PubChem CID 56826622) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(1-benzyl-5-oxopyrrolidin-3-yl)-2-thiophen-2-ylacetamide
PubChem CID56826622
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-(1-benzyl-5-oxopyrrolidin-3-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H18N2O2S/c20-16(10-15-7-4-8-22-15)18-14-9-17(21)19(12-14)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2,(H,18,20)
InChIKeyIWJGMFLCDPYJFH-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Proline scaffold, 28
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N-[1-(Pyrrolidine-1-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
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Rac-4-phenyl-8-(1-thiophen-3-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
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N-(1-Benzyl-pyrrolidin-3-yl)-4-thiophen-2-yl-benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-thiophen-2-ylacetamide (CID 56826622) is N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NC1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-thiophen-2-ylacetamide?
The InChIKey is IWJGMFLCDPYJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-16(10-15-7-4-8-22-15)18-14-9-17(21)19(12-14)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2,(H,18,20).
What are the key properties of N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-thiophen-2-ylacetamide?
N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-thiophen-2-ylacetamide has a molecular weight of 314.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 56826622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).