N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide

C18H23FN2O4S — CID 58198732

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide
SMILESCc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)no2)cc1F
InChIInChI=1S/C18H23FN2O4S/c1-11-7-8-12(9-13(11)19)26(23,24)18(5,6)16(22)20-15-10-14(21-25-15)17(2,3)4/h7-10H,1-6H3,(H,20,22)
InChIKeyXCRCINUBKUNZCS-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.61
Rot. Bonds4

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide (PubChem CID 58198732) has the molecular formula C18H23FN2O4S and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide
PubChem CID58198732
Molecular FormulaC18H23FN2O4S
Molecular Weight382.46 g/mol
Exact Mass382.14
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide
SMILESCc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)no2)cc1F
InChIInChI=1S/C18H23FN2O4S/c1-11-7-8-12(9-13(11)19)26(23,24)18(5,6)16(22)20-15-10-14(21-25-15)17(2,3)4/h7-10H,1-6H3,(H,20,22)
InChIKeyXCRCINUBKUNZCS-UHFFFAOYSA-N
XLogP3.61
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 51348564
2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide
CID 90818403
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-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-cyano-2-fluorophenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 159912807
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-morpholin-4-ylsulfonylpropanamide
CID 68732117
2-(4-cyanophenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 88879379
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea
CID 143051913
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide
CID 59662620
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonylacetamide
CID 51248804
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide
CID 59703974
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 24856071

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide (CID 58198732) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide is Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)no2)cc1F.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide?
The InChIKey is XCRCINUBKUNZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4S/c1-11-7-8-12(9-13(11)19)26(23,24)18(5,6)16(22)20-15-10-14(21-25-15)17(2,3)4/h7-10H,1-6H3,(H,20,22).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide has a molecular weight of 382.46 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 58198732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).