2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C18H22N2OS — CID 60505182

IUPAC2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccccc1C1CCCN1CC(=O)NCc1cccs1
InChIInChI=1S/C18H22N2OS/c1-14-6-2-3-8-16(14)17-9-4-10-20(17)13-18(21)19-12-15-7-5-11-22-15/h2-3,5-8,11,17H,4,9-10,12-13H2,1H3,(H,19,21)
InChIKeyQRSKJBJYMMNKBS-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.51
Rot. Bonds5

About 2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 60505182) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID60505182
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccccc1C1CCCN1CC(=O)NCc1cccs1
InChIInChI=1S/C18H22N2OS/c1-14-6-2-3-8-16(14)17-9-4-10-20(17)13-18(21)19-12-15-7-5-11-22-15/h2-3,5-8,11,17H,4,9-10,12-13H2,1H3,(H,19,21)
InChIKeyQRSKJBJYMMNKBS-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 42946126
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 78942399
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 134001147
2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 62656444
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 51199623
2-[(2S)-2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 7451413
2-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]azepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 95974867
(2R)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 100842036
N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446407
2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3511301
N-[(2-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446395
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
CID 55828676

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 60505182) is 2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is Cc1ccccc1C1CCCN1CC(=O)NCc1cccs1.
What is the InChIKey of 2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QRSKJBJYMMNKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-14-6-2-3-8-16(14)17-9-4-10-20(17)13-18(21)19-12-15-7-5-11-22-15/h2-3,5-8,11,17H,4,9-10,12-13H2,1H3,(H,19,21).
What are the key properties of 2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 314.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 60505182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).