(2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide

C17H17F3N4O4S2 — CID 51957320

IUPAC(2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H17F3N4O4S2/c18-17(19,20)10-22-14(25)11-3-5-12(6-4-11)30(27,28)24-8-1-2-13(24)15(26)23-16-21-7-9-29-16/h3-7,9,13H,1-2,8,10H2,(H,22,25)(H,21,23,26)/t13-/m1/s1
InChIKeyYAUXPSIGUYPPEA-CYBMUJFWSA-N
MW462.48 g/mol
LogP2.23
Rot. Bonds6

About (2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide

(2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide (PubChem CID 51957320) has the molecular formula C17H17F3N4O4S2 and a molecular weight of 462.48 g/mol. Its IUPAC name is (2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide
PubChem CID51957320
Molecular FormulaC17H17F3N4O4S2
Molecular Weight462.48 g/mol
Exact Mass462.06
IUPAC Name(2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H17F3N4O4S2/c18-17(19,20)10-22-14(25)11-3-5-12(6-4-11)30(27,28)24-8-1-2-13(24)15(26)23-16-21-7-9-29-16/h3-7,9,13H,1-2,8,10H2,(H,22,25)(H,21,23,26)/t13-/m1/s1
InChIKeyYAUXPSIGUYPPEA-CYBMUJFWSA-N
XLogP2.23
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60548466
N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 154748675
4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 122152547
(2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95274519
1-(4-acetylphenyl)sulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-2-carboxamide
CID 55924143
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2358996
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 5207549
4-[3-(azepan-1-yl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 86900559
methyl 2-[[4-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]benzoyl]amino]acetate
CID 43059754
2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 26562331
2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 26562223
4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119970062

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide (CID 51957320) is (2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide is O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)cc1.
What is the InChIKey of (2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The InChIKey is YAUXPSIGUYPPEA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17F3N4O4S2/c18-17(19,20)10-22-14(25)11-3-5-12(6-4-11)30(27,28)24-8-1-2-13(24)15(26)23-16-21-7-9-29-16/h3-7,9,13H,1-2,8,10H2,(H,22,25)(H,21,23,26)/t13-/m1/s1.
What are the key properties of (2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
(2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide has a molecular weight of 462.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 51957320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).