N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide

C25H25F3N4O4S — CID 22103791

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESCCN(Cc1cc(-c2ncco2)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)CC(F)(F)F
InChIInChI=1S/C25H25F3N4O4S/c1-4-32(15-25(26,27)28)14-19-13-18(24-29-11-12-35-24)9-10-20(19)21-7-5-6-8-22(21)37(33,34)31-23-16(2)17(3)30-36-23/h5-13,31H,4,14-15H2,1-3H3
InChIKeyXWIPJASIQGZOMB-UHFFFAOYSA-N
MW534.56 g/mol
LogP5.80
Rot. Bonds9

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 22103791) has the molecular formula C25H25F3N4O4S and a molecular weight of 534.56 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
PubChem CID22103791
Molecular FormulaC25H25F3N4O4S
Molecular Weight534.56 g/mol
Exact Mass534.15
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESCCN(Cc1cc(-c2ncco2)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)CC(F)(F)F
InChIInChI=1S/C25H25F3N4O4S/c1-4-32(15-25(26,27)28)14-19-13-18(24-29-11-12-35-24)9-10-20(19)21-7-5-6-8-22(21)37(33,34)31-23-16(2)17(3)30-36-23/h5-13,31H,4,14-15H2,1-3H3
InChIKeyXWIPJASIQGZOMB-UHFFFAOYSA-N
XLogP5.80
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.56
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide with MolForge

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Related Compounds

N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,2-trimethylpropanamide
CID 11731054
2-[2-[[benzyl(methyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 22103582
N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N-propan-2-ylpropanamide
CID 22103730
N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 22103781
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxypropan-2-yl)-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 22103640
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[(3-phenylpyrazol-1-yl)methyl]phenyl]benzenesulfonamide
CID 22103491
N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-3,5-dimethoxy-N-methylbenzamide
CID 22103539
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[(2-propan-2-ylcyclopropyl)methyl]phenyl]benzenesulfonamide
CID 22103494
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(1,3-oxazol-4-yl)phenyl]benzenesulfonamide
CID 22103572
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide
CID 67593997
3-acetamido-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,4-dimethylbenzamide
CID 22103627
N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N-methyl-1,4-dithiaspiro[4.5]decane-8-carboxamide
CID 22103647

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide (CID 22103791) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide is CCN(Cc1cc(-c2ncco2)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)CC(F)(F)F.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is XWIPJASIQGZOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O4S/c1-4-32(15-25(26,27)28)14-19-13-18(24-29-11-12-35-24)9-10-20(19)21-7-5-6-8-22(21)37(33,34)31-23-16(2)17(3)30-36-23/h5-13,31H,4,14-15H2,1-3H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 534.56 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 22103791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).