N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide

C38H46F6N4O7S3 — CID 161444132

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide
SMILESCC(C)C(C(=O)Nc1cc(C(C)(C)C)on1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.CC(C)C(C(=O)Nc1nc(C(C)(C)C)cs1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H23F3N2O4S.C19H23F3N2O3S2/c1-11(2)16(17(25)23-15-10-14(28-24-15)18(3,4)5)29(26,27)13-8-6-12(7-9-13)19(20,21)22;1-11(2)15(16(25)24-17-23-14(10-28-17)18(3,4)5)29(26,27)13-8-6-12(7-9-13)19(20,21)22/h6-11,16H,1-5H3,(H,23,24,25);6-11,15H,1-5H3,(H,23,24,25)
InChIKeyVZRANYZUPKZTPH-UHFFFAOYSA-N
MW881.00 g/mol
LogP9.32
Rot. Bonds10

About N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide (PubChem CID 161444132) has the molecular formula C38H46F6N4O7S3 and a molecular weight of 881.00 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide
PubChem CID161444132
Molecular FormulaC38H46F6N4O7S3
Molecular Weight881.00 g/mol
Exact Mass880.24
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide
SMILESCC(C)C(C(=O)Nc1cc(C(C)(C)C)on1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.CC(C)C(C(=O)Nc1nc(C(C)(C)C)cs1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H23F3N2O4S.C19H23F3N2O3S2/c1-11(2)16(17(25)23-15-10-14(28-24-15)18(3,4)5)29(26,27)13-8-6-12(7-9-13)19(20,21)22;1-11(2)15(16(25)24-17-23-14(10-28-17)18(3,4)5)29(26,27)13-8-6-12(7-9-13)19(20,21)22/h6-11,16H,1-5H3,(H,23,24,25);6-11,15H,1-5H3,(H,23,24,25)
InChIKeyVZRANYZUPKZTPH-UHFFFAOYSA-N
XLogP9.32
TPSA165.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.00
LogP ≤ 59.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 161100841
N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide
CID 59662687
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-tert-butylsulfonyl-2-methylpropanamide;2-tert-butylsulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 160651237
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-one
CID 58198635
(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 78973521
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 159006128
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993057
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide
CID 86902839
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-pyridin-3-ylsulfonylpropanamide;2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 159303314
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 159032670
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 100634685
2-(benzenesulfonyl)-N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methylpropanamide;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide
CID 173117637

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide (CID 161444132) is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide is CC(C)C(C(=O)Nc1cc(C(C)(C)C)on1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.CC(C)C(C(=O)Nc1nc(C(C)(C)C)cs1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide?
The InChIKey is VZRANYZUPKZTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O4S.C19H23F3N2O3S2/c1-11(2)16(17(25)23-15-10-14(28-24-15)18(3,4)5)29(26,27)13-8-6-12(7-9-13)19(20,21)22;1-11(2)15(16(25)24-17-23-14(10-28-17)18(3,4)5)29(26,27)13-8-6-12(7-9-13)19(20,21)22/h6-11,16H,1-5H3,(H,23,24,25);6-11,15H,1-5H3,(H,23,24,25).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide has a molecular weight of 881.00 g/mol, XLogP of 9.32, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylbutanamide is sourced from PubChem (CID 161444132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).