N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C18H16F3N3O2S — CID 41460141

IUPACN-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C18H16F3N3O2S/c19-18(20,21)12-7-8-16(22-10-12)27-11-15(25)23-13-4-1-2-5-14(13)24-9-3-6-17(24)26/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,23,25)
InChIKeyZPBJDEACBMOUNR-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.96
Rot. Bonds5

About N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 41460141) has the molecular formula C18H16F3N3O2S and a molecular weight of 395.41 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID41460141
Molecular FormulaC18H16F3N3O2S
Molecular Weight395.41 g/mol
Exact Mass395.09
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C18H16F3N3O2S/c19-18(20,21)12-7-8-16(22-10-12)27-11-15(25)23-13-4-1-2-5-14(13)24-9-3-6-17(24)26/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,23,25)
InChIKeyZPBJDEACBMOUNR-UHFFFAOYSA-N
XLogP3.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 31213264
2-[2-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26542736
N-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide
CID 55428851
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46667553
2-(benzimidazol-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34060886
2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42238821
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylsulfanylpropanamide
CID 26955397
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 78864072
2-cyclopentyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51228887
N-(4-fluorophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 2824729
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 26955403
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 36597806

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 41460141) is N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is ZPBJDEACBMOUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S/c19-18(20,21)12-7-8-16(22-10-12)27-11-15(25)23-13-4-1-2-5-14(13)24-9-3-6-17(24)26/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,23,25).
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 395.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 41460141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).