N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide

C15H19FN2O2S — CID 45178970

IUPACN-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1CC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H19FN2O2S/c1-21-6-5-14(19)17-13-8-15(20)18(10-13)9-11-3-2-4-12(16)7-11/h2-4,7,13H,5-6,8-10H2,1H3,(H,17,19)
InChIKeyAPNLLHSHZCEOHI-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.80
Rot. Bonds6

About N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide

N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide (PubChem CID 45178970) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide
PubChem CID45178970
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1CC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H19FN2O2S/c1-21-6-5-14(19)17-13-8-15(20)18(10-13)9-11-3-2-4-12(16)7-11/h2-4,7,13H,5-6,8-10H2,1H3,(H,17,19)
InChIKeyAPNLLHSHZCEOHI-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide 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

(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164
1-Pyrrolidineacetamide, N-[(2-fluorophenyl)methyl]-|A-methyl-2,5-dioxo-, (|AR)-
CID 155213179
2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
3-Benzyl-5-(2-(methylthio)ethyl)-2-thioxoimidazolidin-4-one
CID 2901741
[2-[[2-(Dimethylamino)-2-phenylethyl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 16312302
1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
CID 4251323
(4R)-N-Octadecyl-2-phenyl-4-thiazolidinecarboxamide
CID 11156218
(4R)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide
CID 11316635
H-bAla(3R-Bn(2,4,5-triF))-DL-2Thz-NHBn.HCl
CID 25056092
(R)-3-Amino-4-(2-fluoro-phenyl)-1-thiazolidin-3-yl-butan-1-one
CID 44394238
3-((2S,4S)-4-benzylamino-2-pyrrolidinylcarbonyl)-1,3-thiazolidine
CID 44422477
Atcaa-1
CID 44433149

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide (CID 45178970) is N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide is CSCCC(=O)NC1CC(=O)N(Cc2cccc(F)c2)C1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide?
The InChIKey is APNLLHSHZCEOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c1-21-6-5-14(19)17-13-8-15(20)18(10-13)9-11-3-2-4-12(16)7-11/h2-4,7,13H,5-6,8-10H2,1H3,(H,17,19).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide?
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide has a molecular weight of 310.39 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 45178970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).