(3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C17H14FN3O2S — CID 39091506

IUPAC(3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)Nc3sccc3C#N)CC2=O)c(F)c1
InChIInChI=1S/C17H14FN3O2S/c1-10-2-3-14(13(18)6-10)21-9-12(7-15(21)22)16(23)20-17-11(8-19)4-5-24-17/h2-6,12H,7,9H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyYYZCRINFWWOEAV-GFCCVEGCSA-N
MW343.38 g/mol
LogP3.06
Rot. Bonds3

About (3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 39091506) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is (3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID39091506
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name(3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)Nc3sccc3C#N)CC2=O)c(F)c1
InChIInChI=1S/C17H14FN3O2S/c1-10-2-3-14(13(18)6-10)21-9-12(7-15(21)22)16(23)20-17-11(8-19)4-5-24-17/h2-6,12H,7,9H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyYYZCRINFWWOEAV-GFCCVEGCSA-N
XLogP3.06
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(5-chloro-2-methoxyphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 9167011
(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95126966
N-(2,5-dichlorophenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46686200
N-(3,5-dimethoxyphenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55604531
N-(4-amino-3,5-dichlorophenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55628688
1-(2-fluoro-4-methylphenyl)-N-[(1-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 111539807
N-(3-ethylphenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46686190
tert-butyl N-[2-[[(3S)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 52536326
1-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
CID 111429196
N-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46404023
1-(2-fluoro-4-methylphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 120881868
2-[[[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245089

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 39091506) is (3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@H](C(=O)Nc3sccc3C#N)CC2=O)c(F)c1.
What is the InChIKey of (3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YYZCRINFWWOEAV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-10-2-3-14(13(18)6-10)21-9-12(7-15(21)22)16(23)20-17-11(8-19)4-5-24-17/h2-6,12H,7,9H2,1H3,(H,20,23)/t12-/m1/s1.
What are the key properties of (3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-cyanothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 39091506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).