5-[[(R)-(4-tert-butylphenyl)-thiophen-2-ylmethoxy]methyl]pyrrolidin-2-one

C20H25NO2S — CID 141151099

IUPAC5-[[(R)-(4-tert-butylphenyl)-thiophen-2-ylmethoxy]methyl]pyrrolidin-2-one
SMILESCC(C)(C)c1ccc([C@@H](OCC2CCC(=O)N2)c2cccs2)cc1
InChIInChI=1S/C20H25NO2S/c1-20(2,3)15-8-6-14(7-9-15)19(17-5-4-12-24-17)23-13-16-10-11-18(22)21-16/h4-9,12,16,19H,10-11,13H2,1-3H3,(H,21,22)/t16?,19-/m1/s1
InChIKeyUAZIDRQWEKKERX-LRTDYKAYSA-N
MW343.49 g/mol
LogP4.43
Rot. Bonds5

About 5-[[(R)-(4-tert-butylphenyl)-thiophen-2-ylmethoxy]methyl]pyrrolidin-2-one

5-[[(R)-(4-tert-butylphenyl)-thiophen-2-ylmethoxy]methyl]pyrrolidin-2-one (PubChem CID 141151099) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 5-[[(R)-(4-tert-butylphenyl)-thiophen-2-ylmethoxy]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(R)-(4-tert-butylphenyl)-thiophen-2-ylmethoxy]methyl]pyrrolidin-2-one
PubChem CID141151099
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name5-[[(R)-(4-tert-butylphenyl)-thiophen-2-ylmethoxy]methyl]pyrrolidin-2-one
SMILESCC(C)(C)c1ccc([C@@H](OCC2CCC(=O)N2)c2cccs2)cc1
InChIInChI=1S/C20H25NO2S/c1-20(2,3)15-8-6-14(7-9-15)19(17-5-4-12-24-17)23-13-16-10-11-18(22)21-16/h4-9,12,16,19H,10-11,13H2,1-3H3,(H,21,22)/t16?,19-/m1/s1
InChIKeyUAZIDRQWEKKERX-LRTDYKAYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(R)-(4-tert-butylphenyl)-thiophen-2-ylmethoxy]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(R)-(4-tert-butylphenyl)-thiophen-2-ylmethoxy]methyl]pyrrolidin-2-one (CID 141151099) is 5-[[(R)-(4-tert-butylphenyl)-thiophen-2-ylmethoxy]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(R)-(4-tert-butylphenyl)-thiophen-2-ylmethoxy]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(R)-(4-tert-butylphenyl)-thiophen-2-ylmethoxy]methyl]pyrrolidin-2-one is CC(C)(C)c1ccc([C@@H](OCC2CCC(=O)N2)c2cccs2)cc1.
What is the InChIKey of 5-[[(R)-(4-tert-butylphenyl)-thiophen-2-ylmethoxy]methyl]pyrrolidin-2-one?
The InChIKey is UAZIDRQWEKKERX-LRTDYKAYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-20(2,3)15-8-6-14(7-9-15)19(17-5-4-12-24-17)23-13-16-10-11-18(22)21-16/h4-9,12,16,19H,10-11,13H2,1-3H3,(H,21,22)/t16?,19-/m1/s1.
What are the key properties of 5-[[(R)-(4-tert-butylphenyl)-thiophen-2-ylmethoxy]methyl]pyrrolidin-2-one?
5-[[(R)-(4-tert-butylphenyl)-thiophen-2-ylmethoxy]methyl]pyrrolidin-2-one has a molecular weight of 343.49 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(R)-(4-tert-butylphenyl)-thiophen-2-ylmethoxy]methyl]pyrrolidin-2-one is sourced from PubChem (CID 141151099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).