2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide

C23H17F5N2O2S — CID 20524383

IUPAC2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide
SMILESCC(Sc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F5N2O2S/c1-13(14-4-2-5-15(12-14)23(26,27)28)33-17-10-8-16(9-11-17)29-22(32)30-21(31)20-18(24)6-3-7-19(20)25/h2-13H,1H3,(H2,29,30,31,32)
InChIKeySWCBUCOPSOUHJP-UHFFFAOYSA-N
MW480.46 g/mol
LogP6.80
Rot. Bonds5

About 2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide

2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide (PubChem CID 20524383) has the molecular formula C23H17F5N2O2S and a molecular weight of 480.46 g/mol. Its IUPAC name is 2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide
PubChem CID20524383
Molecular FormulaC23H17F5N2O2S
Molecular Weight480.46 g/mol
Exact Mass480.09
IUPAC Name2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide
SMILESCC(Sc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F5N2O2S/c1-13(14-4-2-5-15(12-14)23(26,27)28)33-17-10-8-16(9-11-17)29-22(32)30-21(31)20-18(24)6-3-7-19(20)25/h2-13H,1H3,(H2,29,30,31,32)
InChIKeySWCBUCOPSOUHJP-UHFFFAOYSA-N
XLogP6.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.46
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide
CID 134122808
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641
N-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134088408
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 19712375
2,6-difluoro-N-[[4-(2-phenylpropoxy)phenyl]carbamoyl]benzamide
CID 20524560
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
2,6-difluoro-N-[[2-fluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)phenyl]carbamoyl]benzamide
CID 23034891
2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
CID 23034853
2,6-dimethoxy-N-[[6-[3-(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]benzamide
CID 12912799
2,6-difluoro-N-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 121264507
N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 20524417

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide (CID 20524383) is 2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide is CC(Sc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide?
The InChIKey is SWCBUCOPSOUHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F5N2O2S/c1-13(14-4-2-5-15(12-14)23(26,27)28)33-17-10-8-16(9-11-17)29-22(32)30-21(31)20-18(24)6-3-7-19(20)25/h2-13H,1H3,(H2,29,30,31,32).
What are the key properties of 2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide?
2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide has a molecular weight of 480.46 g/mol, XLogP of 6.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 20524383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).