3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide

C20H23FN2O2S — CID 45177249

IUPAC3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide
SMILESCN(Cc1ccsc1)C(=O)CCC1(Cc2ccc(F)cc2)CCC(=O)N1
InChIInChI=1S/C20H23FN2O2S/c1-23(13-16-8-11-26-14-16)19(25)7-10-20(9-6-18(24)22-20)12-15-2-4-17(21)5-3-15/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3,(H,22,24)
InChIKeyGNLIXEZQAXOKMT-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.52
Rot. Bonds7

About 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide

3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 45177249) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide
PubChem CID45177249
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide
SMILESCN(Cc1ccsc1)C(=O)CCC1(Cc2ccc(F)cc2)CCC(=O)N1
InChIInChI=1S/C20H23FN2O2S/c1-23(13-16-8-11-26-14-16)19(25)7-10-20(9-6-18(24)22-20)12-15-2-4-17(21)5-3-15/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3,(H,22,24)
InChIKeyGNLIXEZQAXOKMT-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide (CID 45177249) is 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide is CN(Cc1ccsc1)C(=O)CCC1(Cc2ccc(F)cc2)CCC(=O)N1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is GNLIXEZQAXOKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-23(13-16-8-11-26-14-16)19(25)7-10-20(9-6-18(24)22-20)12-15-2-4-17(21)5-3-15/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3,(H,22,24).
What are the key properties of 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide?
3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 374.48 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 45177249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).