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

C19H21FN2O2S — CID 45185306

IUPAC3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide
SMILESO=C(CCC1(Cc2ccc(F)cc2)CCC(=O)N1)NCc1ccsc1
InChIInChI=1S/C19H21FN2O2S/c20-16-3-1-14(2-4-16)11-19(9-6-18(24)22-19)8-5-17(23)21-12-15-7-10-25-13-15/h1-4,7,10,13H,5-6,8-9,11-12H2,(H,21,23)(H,22,24)
InChIKeyNBHIMXZKSUKTOD-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.18
Rot. Bonds7

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

3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 45185306) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide
PubChem CID45185306
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide
SMILESO=C(CCC1(Cc2ccc(F)cc2)CCC(=O)N1)NCc1ccsc1
InChIInChI=1S/C19H21FN2O2S/c20-16-3-1-14(2-4-16)11-19(9-6-18(24)22-19)8-5-17(23)21-12-15-7-10-25-13-15/h1-4,7,10,13H,5-6,8-9,11-12H2,(H,21,23)(H,22,24)
InChIKeyNBHIMXZKSUKTOD-UHFFFAOYSA-N
XLogP3.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 42453177
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-[(2S)-5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide
CID 42436698
N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 45170362
N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26278897
3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 42440951
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42248204
3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 42168999
3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(1R,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]propanamide
CID 98568996
3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2S)-1-thiophen-3-ylpropan-2-yl]propanamide
CID 26354471
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42371762
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 42538319

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide (CID 45185306) is 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide is O=C(CCC1(Cc2ccc(F)cc2)CCC(=O)N1)NCc1ccsc1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is NBHIMXZKSUKTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c20-16-3-1-14(2-4-16)11-19(9-6-18(24)22-19)8-5-17(23)21-12-15-7-10-25-13-15/h1-4,7,10,13H,5-6,8-9,11-12H2,(H,21,23)(H,22,24).
What are the key properties of 3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide?
3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 360.45 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 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-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 45185306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).