1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one

C21H24FNO2S — CID 12003582

IUPAC1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one
SMILESCc1ccc([C@H]([C@H](OCC2CC2)c2ccc(F)cc2)N2CCCC2=O)s1
InChIInChI=1S/C21H24FNO2S/c1-14-4-11-18(26-14)20(23-12-2-3-19(23)24)21(25-13-15-5-6-15)16-7-9-17(22)10-8-16/h4,7-11,15,20-21H,2-3,5-6,12-13H2,1H3/t20-,21-/m1/s1
InChIKeyHWXLDOLGIHNOSS-NHCUHLMSSA-N
MW373.49 g/mol
LogP5.03
Rot. Bonds7

About 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one

1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one (PubChem CID 12003582) has the molecular formula C21H24FNO2S and a molecular weight of 373.49 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one
PubChem CID12003582
Molecular FormulaC21H24FNO2S
Molecular Weight373.49 g/mol
Exact Mass373.15
IUPAC Name1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one
SMILESCc1ccc([C@H]([C@H](OCC2CC2)c2ccc(F)cc2)N2CCCC2=O)s1
InChIInChI=1S/C21H24FNO2S/c1-14-4-11-18(26-14)20(23-12-2-3-19(23)24)21(25-13-15-5-6-15)16-7-9-17(22)10-8-16/h4,7-11,15,20-21H,2-3,5-6,12-13H2,1H3/t20-,21-/m1/s1
InChIKeyHWXLDOLGIHNOSS-NHCUHLMSSA-N
XLogP5.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.49
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one 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

Acetic acid (R)-((2R,3R)-1-methyl-5-oxo-3-phenyl-pyrrolidin-2-yl)-thiophen-2-yl-methyl ester
CID 44398039
(4R,5R)-5-((R)-Methoxy-thiophen-2-yl-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44398422
2-(4-Fluorobenzyl)-4-{[5-(methoxymethyl)-2-thienyl]carbonyl}morpholine
CID 45251938
1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 164635979
1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one
CID 12003583
(5R)-5-[(E,3S)-4-(4-fluorophenyl)-3-hydroxybut-1-enyl]-1-[[5-(3-hydroxypropyl)thiophen-2-yl]methyl]pyrrolidin-2-one
CID 57893913
[(S)-[5-(4-fluorophenyl)thiophen-2-yl]-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl] acetate
CID 59066464
1-[(1R,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one
CID 59552000
1-[(1S,2R)-2-(cyclopropylmethoxy)-1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)ethyl]pyrrolidin-2-one
CID 59552018
1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one
CID 59552026
1-[(1R,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one
CID 59552073
1-[(1S,2S)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-phenylethyl]pyrrolidin-2-one
CID 59552093

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one (CID 12003582) is 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one is Cc1ccc([C@H]([C@H](OCC2CC2)c2ccc(F)cc2)N2CCCC2=O)s1.
What is the InChIKey of 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one?
The InChIKey is HWXLDOLGIHNOSS-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H24FNO2S/c1-14-4-11-18(26-14)20(23-12-2-3-19(23)24)21(25-13-15-5-6-15)16-7-9-17(22)10-8-16/h4,7-11,15,20-21H,2-3,5-6,12-13H2,1H3/t20-,21-/m1/s1.
What are the key properties of 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one?
1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one has a molecular weight of 373.49 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 12003582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).