(2S)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide

C14H17F3N2O4S — CID 52510874

IUPAC(2S)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O4S/c1-18-13(20)12-3-2-8-19(12)24(21,22)11-6-4-10(5-7-11)23-9-14(15,16)17/h4-7,12H,2-3,8-9H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyWAPUCNYEMMVGMQ-LBPRGKRZSA-N
MW366.36 g/mol
LogP1.53
Rot. Bonds5

About (2S)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide

(2S)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide (PubChem CID 52510874) has the molecular formula C14H17F3N2O4S and a molecular weight of 366.36 g/mol. Its IUPAC name is (2S)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide
PubChem CID52510874
Molecular FormulaC14H17F3N2O4S
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Name(2S)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O4S/c1-18-13(20)12-3-2-8-19(12)24(21,22)11-6-4-10(5-7-11)23-9-14(15,16)17/h4-7,12H,2-3,8-9H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyWAPUCNYEMMVGMQ-LBPRGKRZSA-N
XLogP1.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 52510875
N-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18884790
1-(4-ethoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 16644597
(2S)-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-2-carbothioamide;(2S)-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 157080497
N-cyclopropyl-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 46596105
1-[4-(bromomethyl)phenyl]sulfonyl-N-methylpiperidine-2-carboxamide
CID 65480615
methyl 1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409870
1-(3,4-difluorophenyl)sulfonyl-N-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 70941114
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
CID 18846703
N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide
CID 47026868
N-[2-(4-butoxyphenoxy)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 5295983
(2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide
CID 51571149

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide (CID 52510874) is (2S)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of (2S)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide?
The InChIKey is WAPUCNYEMMVGMQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17F3N2O4S/c1-18-13(20)12-3-2-8-19(12)24(21,22)11-6-4-10(5-7-11)23-9-14(15,16)17/h4-7,12H,2-3,8-9H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide?
(2S)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide has a molecular weight of 366.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 52510874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).