(2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide

C17H22F3N3O5S — CID 118937303

IUPAC(2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide
SMILESCO[C@@H](C1CCCN1)[C@@H](C)C(=O)NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H22F3N3O5S/c1-10(14(28-2)13-4-3-9-21-13)15(24)23-29(26,27)12-7-5-11(6-8-12)22-16(25)17(18,19)20/h5-8,10,13-14,21H,3-4,9H2,1-2H3,(H,22,25)(H,23,24)/t10-,13?,14-/m1/s1
InChIKeyRBNRAYGEIGQGCJ-RELUHHIESA-N
MW437.44 g/mol
LogP1.40
Rot. Bonds7

About (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide

(2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide (PubChem CID 118937303) has the molecular formula C17H22F3N3O5S and a molecular weight of 437.44 g/mol. Its IUPAC name is (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide.

Molecular Properties

Compound Name(2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide
PubChem CID118937303
Molecular FormulaC17H22F3N3O5S
Molecular Weight437.44 g/mol
Exact Mass437.12
IUPAC Name(2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide
SMILESCO[C@@H](C1CCCN1)[C@@H](C)C(=O)NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H22F3N3O5S/c1-10(14(28-2)13-4-3-9-21-13)15(24)23-29(26,27)12-7-5-11(6-8-12)22-16(25)17(18,19)20/h5-8,10,13-14,21H,3-4,9H2,1-2H3,(H,22,25)(H,23,24)/t10-,13?,14-/m1/s1
InChIKeyRBNRAYGEIGQGCJ-RELUHHIESA-N
XLogP1.40
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide
CID 166824109
(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide;2,2,2-trifluoroacetic acid
CID 174987095
(2S)-2-amino-N-[(3R,5S)-3-methoxy-1-[2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylamino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CID 153342963
methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
CID 118577691
(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 134516134
3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid
CID 118577568
(2S,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 169449920
(2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide
CID 70810642
tert-butyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylamino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
CID 118974742
(2R,3S)-3-methoxy-2-methyl-3-[(2R)-pyrrolidin-2-yl]propanoic acid;hydrochloride
CID 138958295
(3R,4R)-1-benzylsulfonyl-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 147728581
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CID 124730678

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide?
The IUPAC name of (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide (CID 118937303) is (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide.
What is the SMILES notation for (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide?
The canonical SMILES for (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide is CO[C@@H](C1CCCN1)[C@@H](C)C(=O)NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide?
The InChIKey is RBNRAYGEIGQGCJ-RELUHHIESA-N. The full InChI is InChI=1S/C17H22F3N3O5S/c1-10(14(28-2)13-4-3-9-21-13)15(24)23-29(26,27)12-7-5-11(6-8-12)22-16(25)17(18,19)20/h5-8,10,13-14,21H,3-4,9H2,1-2H3,(H,22,25)(H,23,24)/t10-,13?,14-/m1/s1.
What are the key properties of (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide?
(2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide has a molecular weight of 437.44 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfonylpropanamide is sourced from PubChem (CID 118937303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).