N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide

C18H20N2O2S — CID 40897485

IUPACN-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(N2C[C@H](CNC(=O)Cc3cccs3)CC2=O)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-4-6-15(7-5-13)20-12-14(9-18(20)22)11-19-17(21)10-16-3-2-8-23-16/h2-8,14H,9-12H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyXAOIDQHJDSUIAC-AWEZNQCLSA-N
MW328.44 g/mol
LogP2.77
Rot. Bonds5

About N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide

N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 40897485) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID40897485
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(N2C[C@H](CNC(=O)Cc3cccs3)CC2=O)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-4-6-15(7-5-13)20-12-14(9-18(20)22)11-19-17(21)10-16-3-2-8-23-16/h2-8,14H,9-12H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyXAOIDQHJDSUIAC-AWEZNQCLSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40897451
2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919044
2-cyclopentyl-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40896961
1-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 40912799
1-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 40913216
methyl N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 16919084
2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40896977
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide
CID 40895927
1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920233
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918995
N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 110367798

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide (CID 40897485) is N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide is Cc1ccc(N2C[C@H](CNC(=O)Cc3cccs3)CC2=O)cc1.
What is the InChIKey of N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is XAOIDQHJDSUIAC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-4-6-15(7-5-13)20-12-14(9-18(20)22)11-19-17(21)10-16-3-2-8-23-16/h2-8,14H,9-12H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 328.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 40897485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).