N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide

C15H16F3N3O4S — CID 100634685

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)no1
InChIInChI=1S/C15H16F3N3O4S/c1-14(2,3)11-8-12(20-25-11)21-26(23,24)10-6-4-9(5-7-10)19-13(22)15(16,17)18/h4-8H,1-3H3,(H,19,22)(H,20,21)
InChIKeyWJCGNSLSRHTRMM-UHFFFAOYSA-N
MW391.37 g/mol
LogP3.27
Rot. Bonds4

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 100634685) has the molecular formula C15H16F3N3O4S and a molecular weight of 391.37 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID100634685
Molecular FormulaC15H16F3N3O4S
Molecular Weight391.37 g/mol
Exact Mass391.08
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)no1
InChIInChI=1S/C15H16F3N3O4S/c1-14(2,3)11-8-12(20-25-11)21-26(23,24)10-6-4-9(5-7-10)19-13(22)15(16,17)18/h4-8H,1-3H3,(H,19,22)(H,20,21)
InChIKeyWJCGNSLSRHTRMM-UHFFFAOYSA-N
XLogP3.27
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide
CID 628321
1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2808955
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 5113422
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide
CID 67337779
sodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate
CID 174221570
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1013172
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1244336
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide
CID 59662620
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide (CID 100634685) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide is CC(C)(C)c1cc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)no1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is WJCGNSLSRHTRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O4S/c1-14(2,3)11-8-12(20-25-11)21-26(23,24)10-6-4-9(5-7-10)19-13(22)15(16,17)18/h4-8H,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 391.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 100634685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).