N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide

C18H15F3N2O2S — CID 8589872

IUPACN-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O2S/c19-18(20,21)26-15-8-6-12(7-9-15)17(25)22-13-3-1-4-14(11-13)23-10-2-5-16(23)24/h1,3-4,6-9,11H,2,5,10H2,(H,22,25)
InChIKeyMEXGSXGILUIONY-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.68
Rot. Bonds4

About N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 8589872) has the molecular formula C18H15F3N2O2S and a molecular weight of 380.39 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
PubChem CID8589872
Molecular FormulaC18H15F3N2O2S
Molecular Weight380.39 g/mol
Exact Mass380.08
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O2S/c19-18(20,21)26-15-8-6-12(7-9-15)17(25)22-13-3-1-4-14(11-13)23-10-2-5-16(23)24/h1,3-4,6-9,11H,2,5,10H2,(H,22,25)
InChIKeyMEXGSXGILUIONY-UHFFFAOYSA-N
XLogP4.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 25472925
3-acetamido-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46471677
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8589902
N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 7687596
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
4-(methoxysulfamoyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55704261
4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46438099
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121054613
N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27256400

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide (CID 8589872) is N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide is O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is MEXGSXGILUIONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2S/c19-18(20,21)26-15-8-6-12(7-9-15)17(25)22-13-3-1-4-14(11-13)23-10-2-5-16(23)24/h1,3-4,6-9,11H,2,5,10H2,(H,22,25).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide?
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 380.39 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 8589872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).