N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide

C18H24FN3O4S — CID 67337779

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide
SMILESCC(C)(NCS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C18H24FN3O4S/c1-17(2,3)14-10-15(22-26-14)21-16(23)18(4,5)20-11-27(24,25)13-8-6-12(19)7-9-13/h6-10,20H,11H2,1-5H3,(H,21,22,23)
InChIKeyQFQVVHUMMRJDEA-UHFFFAOYSA-N
MW397.47 g/mol
LogP2.85
Rot. Bonds6

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide (PubChem CID 67337779) has the molecular formula C18H24FN3O4S and a molecular weight of 397.47 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide
PubChem CID67337779
Molecular FormulaC18H24FN3O4S
Molecular Weight397.47 g/mol
Exact Mass397.15
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide
SMILESCC(C)(NCS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C18H24FN3O4S/c1-17(2,3)14-10-15(22-26-14)21-16(23)18(4,5)20-11-27(24,25)13-8-6-12(19)7-9-13/h6-10,20H,11H2,1-5H3,(H,21,22,23)
InChIKeyQFQVVHUMMRJDEA-UHFFFAOYSA-N
XLogP2.85
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide
CID 59662620
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 59662655
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 100634685
2-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7254489
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2-methylpropylsulfonyl)propanamide
CID 25004378
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide
CID 59703925
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol
CID 143852097
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide
CID 59662692
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide
CID 59704004
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-2-methylpropanamide
CID 59703933

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide (CID 67337779) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide is CC(C)(NCS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide?
The InChIKey is QFQVVHUMMRJDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O4S/c1-17(2,3)14-10-15(22-26-14)21-16(23)18(4,5)20-11-27(24,25)13-8-6-12(19)7-9-13/h6-10,20H,11H2,1-5H3,(H,21,22,23).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide has a molecular weight of 397.47 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide is sourced from PubChem (CID 67337779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).