7-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[S-ethyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]-1-methylindole-4-carboxamide

C28H22F12N4O4S — CID 25141787

IUPAC7-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[S-ethyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]-1-methylindole-4-carboxamide
SMILESCCS(=O)(CCNC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2c1ccn2C)=NC(=O)C(F)(F)F
InChIInChI=1S/C28H22F12N4O4S/c1-3-49(47,43-23(46)27(35,36)37)9-7-41-22(45)18-4-5-19(21-17(18)6-8-44(21)2)20-13-24(48-42-20,28(38,39)40)14-10-15(25(29,30)31)12-16(11-14)26(32,33)34/h4-6,8,10-12H,3,7,9,13H2,1-2H3,(H,41,45)
InChIKeyAZZXPIRKFKKFGC-UHFFFAOYSA-N
MW738.55 g/mol
LogP7.10
Rot. Bonds7

About 7-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[S-ethyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]-1-methylindole-4-carboxamide

7-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[S-ethyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]-1-methylindole-4-carboxamide (PubChem CID 25141787) has the molecular formula C28H22F12N4O4S and a molecular weight of 738.55 g/mol. Its IUPAC name is 7-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[S-ethyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]-1-methylindole-4-carboxamide.

Molecular Properties

Compound Name7-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[S-ethyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]-1-methylindole-4-carboxamide
PubChem CID25141787
Molecular FormulaC28H22F12N4O4S
Molecular Weight738.55 g/mol
Exact Mass738.12
IUPAC Name7-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[S-ethyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]-1-methylindole-4-carboxamide
SMILESCCS(=O)(CCNC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2c1ccn2C)=NC(=O)C(F)(F)F
InChIInChI=1S/C28H22F12N4O4S/c1-3-49(47,43-23(46)27(35,36)37)9-7-41-22(45)18-4-5-19(21-17(18)6-8-44(21)2)20-13-24(48-42-20,28(38,39)40)14-10-15(25(29,30)31)12-16(11-14)26(32,33)34/h4-6,8,10-12H,3,7,9,13H2,1-2H3,(H,41,45)
InChIKeyAZZXPIRKFKKFGC-UHFFFAOYSA-N
XLogP7.10
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.55
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[S-ethyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]-1-methylindole-4-carboxamide with MolForge

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Related Compounds

US10947222, Example 32
CID 134521979
US10947222, Example 30
CID 134534336
5-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-methylsulfanylethyl)indolizine-8-carboxamide
CID 53252788
4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-6-carboxamide
CID 118227103
8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-methylsulfanylethyl)indolizine-5-carboxamide
CID 53252921
1,7-dimethyl-N-(2-methylsulfinylethyl)indole-4-carboxamide;ethane
CID 145532327

Frequently Asked Questions

What is the IUPAC name of 7-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[S-ethyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]-1-methylindole-4-carboxamide?
The IUPAC name of 7-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[S-ethyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]-1-methylindole-4-carboxamide (CID 25141787) is 7-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[S-ethyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]-1-methylindole-4-carboxamide.
What is the SMILES notation for 7-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[S-ethyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]-1-methylindole-4-carboxamide?
The canonical SMILES for 7-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[S-ethyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]-1-methylindole-4-carboxamide is CCS(=O)(CCNC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2c1ccn2C)=NC(=O)C(F)(F)F.
What is the InChIKey of 7-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[S-ethyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]-1-methylindole-4-carboxamide?
The InChIKey is AZZXPIRKFKKFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F12N4O4S/c1-3-49(47,43-23(46)27(35,36)37)9-7-41-22(45)18-4-5-19(21-17(18)6-8-44(21)2)20-13-24(48-42-20,28(38,39)40)14-10-15(25(29,30)31)12-16(11-14)26(32,33)34/h4-6,8,10-12H,3,7,9,13H2,1-2H3,(H,41,45).
What are the key properties of 7-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[S-ethyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]-1-methylindole-4-carboxamide?
7-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[S-ethyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]-1-methylindole-4-carboxamide has a molecular weight of 738.55 g/mol, XLogP of 7.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[S-ethyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]-1-methylindole-4-carboxamide is sourced from PubChem (CID 25141787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).