1-(4-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxopyrrolidine-3-carboxamide

C18H19FN2O3S — CID 90583967

IUPAC1-(4-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOC(CNC(=O)C1CC(=O)N(c2ccc(F)cc2)C1)c1ccsc1
InChIInChI=1S/C18H19FN2O3S/c1-24-16(12-6-7-25-11-12)9-20-18(23)13-8-17(22)21(10-13)15-4-2-14(19)3-5-15/h2-7,11,13,16H,8-10H2,1H3,(H,20,23)
InChIKeyDMTSLDLPCVWNBZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.74
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxopyrrolidine-3-carboxamide

1-(4-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90583967) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90583967
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name1-(4-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOC(CNC(=O)C1CC(=O)N(c2ccc(F)cc2)C1)c1ccsc1
InChIInChI=1S/C18H19FN2O3S/c1-24-16(12-6-7-25-11-12)9-20-18(23)13-8-17(22)21(10-13)15-4-2-14(19)3-5-15/h2-7,11,13,16H,8-10H2,1H3,(H,20,23)
InChIKeyDMTSLDLPCVWNBZ-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90583950
N-(2-hydroxy-2-thiophen-3-ylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 111441332
1-(4-hydroxyphenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2955573
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55949729
(3S)-1-(4-chlorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 774264
N-[(4-fluorophenyl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42881995
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 702195
1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 3159237
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
1-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2955372
(3S)-1-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976973

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxopyrrolidine-3-carboxamide (CID 90583967) is 1-(4-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxopyrrolidine-3-carboxamide is COC(CNC(=O)C1CC(=O)N(c2ccc(F)cc2)C1)c1ccsc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DMTSLDLPCVWNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-24-16(12-6-7-25-11-12)9-20-18(23)13-8-17(22)21(10-13)15-4-2-14(19)3-5-15/h2-7,11,13,16H,8-10H2,1H3,(H,20,23).
What are the key properties of 1-(4-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90583967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).