methyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate

C18H17FN2O4S — CID 43044505

IUPACmethyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C1CC(=O)N(c2ccc(C)c(F)c2)C1
InChIInChI=1S/C18H17FN2O4S/c1-10-3-4-12(8-13(10)19)21-9-11(7-15(21)22)17(23)20-14-5-6-26-16(14)18(24)25-2/h3-6,8,11H,7,9H2,1-2H3,(H,20,23)
InChIKeyOIYPALXYONASBZ-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.97
Rot. Bonds4

About methyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate

methyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 43044505) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate
PubChem CID43044505
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Namemethyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C1CC(=O)N(c2ccc(C)c(F)c2)C1
InChIInChI=1S/C18H17FN2O4S/c1-10-3-4-12(8-13(10)19)21-9-11(7-15(21)22)17(23)20-14-5-6-26-16(14)18(24)25-2/h3-6,8,11H,7,9H2,1-2H3,(H,20,23)
InChIKeyOIYPALXYONASBZ-UHFFFAOYSA-N
XLogP2.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

(3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 33398015
N-(3-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42939717
(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378747
methyl 4-[2-[[(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoate
CID 36773852
(3R)-N-(5-fluoro-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39977521
1-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134060422
(3R)-N-(3-fluoro-4-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528944
(4-methoxyphenyl) 1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 43044149
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9097641
N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22831152
(3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528847
1-(3-fluoro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 18157395

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate (CID 43044505) is methyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)C1CC(=O)N(c2ccc(C)c(F)c2)C1.
What is the InChIKey of methyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is OIYPALXYONASBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-10-3-4-12(8-13(10)19)21-9-11(7-15(21)22)17(23)20-14-5-6-26-16(14)18(24)25-2/h3-6,8,11H,7,9H2,1-2H3,(H,20,23).
What are the key properties of methyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate?
methyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 43044505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).