2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H22F3N3O4S — CID 3463406

IUPAC2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CCC(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C18H22F3N3O4S/c1-12(2)7-8-24(11-17(25)22-16-9-13(3)28-23-16)29(26,27)15-6-4-5-14(10-15)18(19,20)21/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,22,23,25)
InChIKeyGBUXPUDSSLWZMG-UHFFFAOYSA-N
MW433.45 g/mol
LogP3.68
Rot. Bonds8

About 2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 3463406) has the molecular formula C18H22F3N3O4S and a molecular weight of 433.45 g/mol. Its IUPAC name is 2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID3463406
Molecular FormulaC18H22F3N3O4S
Molecular Weight433.45 g/mol
Exact Mass433.13
IUPAC Name2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CCC(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C18H22F3N3O4S/c1-12(2)7-8-24(11-17(25)22-16-9-13(3)28-23-16)29(26,27)15-6-4-5-14(10-15)18(19,20)21/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,22,23,25)
InChIKeyGBUXPUDSSLWZMG-UHFFFAOYSA-N
XLogP3.68
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769393
N-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 5046108
2-[3-methylbutyl(methylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4105604
2-[(4-chloro-3-nitrophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 5141625
N-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 22907211
2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769392
N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 42768974
N-(2-methylphenyl)-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 24678170
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3650792
2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769264
N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 8519021
2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17439461

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 3463406) is 2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(CCC(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of 2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is GBUXPUDSSLWZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O4S/c1-12(2)7-8-24(11-17(25)22-16-9-13(3)28-23-16)29(26,27)15-6-4-5-14(10-15)18(19,20)21/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,22,23,25).
What are the key properties of 2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 433.45 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3463406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).