N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide

C21H20F3N3O6S — CID 53133245

IUPACN-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide
SMILESCCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C21H20F3N3O6S/c1-4-16-19(20(33-26-16)25-12(2)28)13-5-10-17(31-3)18(11-13)34(29,30)27-14-6-8-15(9-7-14)32-21(22,23)24/h5-11,27H,4H2,1-3H3,(H,25,28)
InChIKeyJLXPHTQEOJNFMT-UHFFFAOYSA-N
MW499.47 g/mol
LogP4.57
Rot. Bonds8

About N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide

N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide (PubChem CID 53133245) has the molecular formula C21H20F3N3O6S and a molecular weight of 499.47 g/mol. Its IUPAC name is N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide
PubChem CID53133245
Molecular FormulaC21H20F3N3O6S
Molecular Weight499.47 g/mol
Exact Mass499.10
IUPAC NameN-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide
SMILESCCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C21H20F3N3O6S/c1-4-16-19(20(33-26-16)25-12(2)28)13-5-10-17(31-3)18(11-13)34(29,30)27-14-6-8-15(9-7-14)32-21(22,23)24/h5-11,27H,4H2,1-3H3,(H,25,28)
InChIKeyJLXPHTQEOJNFMT-UHFFFAOYSA-N
XLogP4.57
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133073
N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133219
N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133157
N-[4-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133239
5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride
CID 53212039
N-[3-ethyl-4-[3-[(3-ethylphenyl)sulfamoyl]-4-methylphenyl]-1,2-oxazol-5-yl]acetamide
CID 53133320
N-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide
CID 53133348
N-[4-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133276
ethyl 1-[5-(5-acetamido-3-ethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate
CID 53133193
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
CID 20935605
N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 95092633
N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133079

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide (CID 53133245) is N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide is CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide?
The InChIKey is JLXPHTQEOJNFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O6S/c1-4-16-19(20(33-26-16)25-12(2)28)13-5-10-17(31-3)18(11-13)34(29,30)27-14-6-8-15(9-7-14)32-21(22,23)24/h5-11,27H,4H2,1-3H3,(H,25,28).
What are the key properties of N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide?
N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide has a molecular weight of 499.47 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 53133245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).