N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide

C20H19F2N3O4S2 — CID 67239219

IUPACN-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide
SMILESCSc1cccc(-c2nc(C(=O)NC(C)c3cc(F)c(NS(C)(=O)=O)c(F)c3)co2)c1
InChIInChI=1S/C20H19F2N3O4S2/c1-11(13-8-15(21)18(16(22)9-13)25-31(3,27)28)23-19(26)17-10-29-20(24-17)12-5-4-6-14(7-12)30-2/h4-11,25H,1-3H3,(H,23,26)
InChIKeyFVKBHKQYMLMBMU-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.20
Rot. Bonds7

About N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide

N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 67239219) has the molecular formula C20H19F2N3O4S2 and a molecular weight of 467.52 g/mol. Its IUPAC name is N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID67239219
Molecular FormulaC20H19F2N3O4S2
Molecular Weight467.52 g/mol
Exact Mass467.08
IUPAC NameN-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide
SMILESCSc1cccc(-c2nc(C(=O)NC(C)c3cc(F)c(NS(C)(=O)=O)c(F)c3)co2)c1
InChIInChI=1S/C20H19F2N3O4S2/c1-11(13-8-15(21)18(16(22)9-13)25-31(3,27)28)23-19(26)17-10-29-20(24-17)12-5-4-6-14(7-12)30-2/h4-11,25H,1-3H3,(H,23,26)
InChIKeyFVKBHKQYMLMBMU-UHFFFAOYSA-N
XLogP4.20
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 67111279
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-naphthalen-1-yl-1,3-oxazole-4-carboxamide
CID 67237818
2-(3-bromo-5-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 67238408
2-(2-butoxyphenyl)-N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 70924562
2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 87273457
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(1,1,1-trifluoropropan-2-yl)phenoxy]-1,3-oxazole-4-carboxamide
CID 67111314
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 58319204
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]-1,3-oxazole-4-carboxamide
CID 44602936
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-nitrophenoxy)-1,3-oxazole-4-carboxamide
CID 67238143
N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 76759521
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-propan-2-ylquinoline-6-carboxamide
CID 74387260
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 67237992

Frequently Asked Questions

What is the IUPAC name of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide (CID 67239219) is N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide is CSc1cccc(-c2nc(C(=O)NC(C)c3cc(F)c(NS(C)(=O)=O)c(F)c3)co2)c1.
What is the InChIKey of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FVKBHKQYMLMBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O4S2/c1-11(13-8-15(21)18(16(22)9-13)25-31(3,27)28)23-19(26)17-10-29-20(24-17)12-5-4-6-14(7-12)30-2/h4-11,25H,1-3H3,(H,23,26).
What are the key properties of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide?
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 467.52 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 67239219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).