3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide

C21H24F5N3O3S — CID 142698465

IUPAC3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide
SMILESCCCCc1nc(C(F)(F)F)ccc1CCC(=O)NCc1cc(F)c(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C21H24F5N3O3S/c1-3-4-5-17-14(6-8-18(28-17)21(24,25)26)7-9-19(30)27-12-13-10-15(22)20(16(23)11-13)29-33(2,31)32/h6,8,10-11,29H,3-5,7,9,12H2,1-2H3,(H,27,30)
InChIKeyWNSHJUAEGSUZEB-UHFFFAOYSA-N
MW493.50 g/mol
LogP4.34
Rot. Bonds10

About 3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide

3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide (PubChem CID 142698465) has the molecular formula C21H24F5N3O3S and a molecular weight of 493.50 g/mol. Its IUPAC name is 3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide
PubChem CID142698465
Molecular FormulaC21H24F5N3O3S
Molecular Weight493.50 g/mol
Exact Mass493.15
IUPAC Name3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide
SMILESCCCCc1nc(C(F)(F)F)ccc1CCC(=O)NCc1cc(F)c(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C21H24F5N3O3S/c1-3-4-5-17-14(6-8-18(28-17)21(24,25)26)7-9-19(30)27-12-13-10-15(22)20(16(23)11-13)29-33(2,31)32/h6,8,10-11,29H,3-5,7,9,12H2,1-2H3,(H,27,30)
InChIKeyWNSHJUAEGSUZEB-UHFFFAOYSA-N
XLogP4.34
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide with MolForge

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Related Compounds

(E)-3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
CID 59598147
3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3-fluoro-4-(methanesulfonamido)-5-methylphenyl]methyl]prop-2-ynamide
CID 59598193
N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 59598267
2-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
CID 154485016
(Z)-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 68787307
3-(4-tert-butylphenyl)-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide;3-(4-tert-butylphenyl)-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanethioamide
CID 87893830
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-propyl-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 118707572
(E)-N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 24993497
(E)-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-(3-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 24995369
(Z)-N-[[3-fluoro-4-(methanesulfonamido)-5-methylphenyl]methyl]-3-[2-(propan-2-ylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 68782131
3-(4-tert-butylphenyl)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]propanamide
CID 44574354
N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-ethynylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 142698463

Frequently Asked Questions

What is the IUPAC name of 3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide?
The IUPAC name of 3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide (CID 142698465) is 3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide?
The canonical SMILES for 3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide is CCCCc1nc(C(F)(F)F)ccc1CCC(=O)NCc1cc(F)c(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of 3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide?
The InChIKey is WNSHJUAEGSUZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F5N3O3S/c1-3-4-5-17-14(6-8-18(28-17)21(24,25)26)7-9-19(30)27-12-13-10-15(22)20(16(23)11-13)29-33(2,31)32/h6,8,10-11,29H,3-5,7,9,12H2,1-2H3,(H,27,30).
What are the key properties of 3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide?
3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide has a molecular weight of 493.50 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-butyl-6-(trifluoromethyl)-3-pyridinyl]-N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]propanamide is sourced from PubChem (CID 142698465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).