N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide

C15H17F3N2O4S — CID 52505990

IUPACN-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide
SMILESC[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)N1CCCC1
InChIInChI=1S/C15H17F3N2O4S/c1-10(14(22)20-8-2-3-9-20)19-13(21)11-4-6-12(7-5-11)25(23,24)15(16,17)18/h4-7,10H,2-3,8-9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyZQBGKRBJALYVLO-JTQLQIEISA-N
MW378.37 g/mol
LogP1.72
Rot. Bonds4

About N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide

N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 52505990) has the molecular formula C15H17F3N2O4S and a molecular weight of 378.37 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide
PubChem CID52505990
Molecular FormulaC15H17F3N2O4S
Molecular Weight378.37 g/mol
Exact Mass378.09
IUPAC NameN-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide
SMILESC[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)N1CCCC1
InChIInChI=1S/C15H17F3N2O4S/c1-10(14(22)20-8-2-3-9-20)19-13(21)11-4-6-12(7-5-11)25(23,24)15(16,17)18/h4-7,10H,2-3,8-9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyZQBGKRBJALYVLO-JTQLQIEISA-N
XLogP1.72
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 110347447
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide
CID 94667832
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 103735178
3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 104938945
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 30798104
N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide
CID 55586100
3-hydroxy-4-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 115674973
2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 115596719

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide (CID 52505990) is N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide is C[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)N1CCCC1.
What is the InChIKey of N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide?
The InChIKey is ZQBGKRBJALYVLO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17F3N2O4S/c1-10(14(22)20-8-2-3-9-20)19-13(21)11-4-6-12(7-5-11)25(23,24)15(16,17)18/h4-7,10H,2-3,8-9H2,1H3,(H,19,21)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide?
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 378.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 52505990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).