5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(1-cyclohexylethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide

C28H38F3N3O4S2 — CID 118185938

IUPAC5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(1-cyclohexylethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
SMILESCC(c1nc(C(=O)NC2CCOCC2)sc1-c1ccc(S(=O)(=O)NC(C)(C)C)c(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C28H38F3N3O4S2/c1-17(18-8-6-5-7-9-18)23-24(39-26(33-23)25(35)32-20-12-14-38-15-13-20)19-10-11-22(21(16-19)28(29,30)31)40(36,37)34-27(2,3)4/h10-11,16-18,20,34H,5-9,12-15H2,1-4H3,(H,32,35)
InChIKeyZOYHIVGYRPXSMC-UHFFFAOYSA-N
MW601.76 g/mol
LogP6.50
Rot. Bonds7

About 5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(1-cyclohexylethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide

5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(1-cyclohexylethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide (PubChem CID 118185938) has the molecular formula C28H38F3N3O4S2 and a molecular weight of 601.76 g/mol. Its IUPAC name is 5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(1-cyclohexylethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(1-cyclohexylethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
PubChem CID118185938
Molecular FormulaC28H38F3N3O4S2
Molecular Weight601.76 g/mol
Exact Mass601.23
IUPAC Name5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(1-cyclohexylethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
SMILESCC(c1nc(C(=O)NC2CCOCC2)sc1-c1ccc(S(=O)(=O)NC(C)(C)C)c(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C28H38F3N3O4S2/c1-17(18-8-6-5-7-9-18)23-24(39-26(33-23)25(35)32-20-12-14-38-15-13-20)19-10-11-22(21(16-19)28(29,30)31)40(36,37)34-27(2,3)4/h10-11,16-18,20,34H,5-9,12-15H2,1-4H3,(H,32,35)
InChIKeyZOYHIVGYRPXSMC-UHFFFAOYSA-N
XLogP6.50
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.76
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(tert-butylsulfamoyl)-3-(difluoromethoxy)phenyl]-4-(cyclohexylmethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 118188720
5-[3-tert-butyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 123974818
N-tert-butyl-4-[4-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3-thiazol-5-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 118186018
5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-4-[cyclohexyl(methoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 118160546
N-(4-amino-3,3-dimethyl-4-oxobutyl)-5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-carboxamide
CID 118160611
5-[4-(tert-butylsulfamoyl)-3-(2-hydroxypropan-2-yl)phenyl]-4-(cyclohexylmethyl)-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2-carboxamide
CID 118185771
5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-N-(4-cyanooxan-4-yl)-4-(cyclohexylmethyl)-1,3-thiazole-2-carboxamide
CID 118186030
5-[3-tert-butyl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]-4-(cyclohexylmethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 118188744
5-[3-tert-butyl-4-(2-propan-2-ylpyrazol-3-yl)phenyl]-4-(cyclohexylmethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 118185851
5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide
CID 118185806
4-[4-(tert-butylsulfamoyl)-3-propan-2-ylphenyl]-5-(cyclohexylmethyl)-1-methyl-N-(oxan-4-yl)pyrrole-2-carboxamide
CID 123890810
2-[5-[5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl acetate
CID 121302025

Frequently Asked Questions

What is the IUPAC name of 5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(1-cyclohexylethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(1-cyclohexylethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide (CID 118185938) is 5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(1-cyclohexylethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(1-cyclohexylethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(1-cyclohexylethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide is CC(c1nc(C(=O)NC2CCOCC2)sc1-c1ccc(S(=O)(=O)NC(C)(C)C)c(C(F)(F)F)c1)C1CCCCC1.
What is the InChIKey of 5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(1-cyclohexylethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is ZOYHIVGYRPXSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F3N3O4S2/c1-17(18-8-6-5-7-9-18)23-24(39-26(33-23)25(35)32-20-12-14-38-15-13-20)19-10-11-22(21(16-19)28(29,30)31)40(36,37)34-27(2,3)4/h10-11,16-18,20,34H,5-9,12-15H2,1-4H3,(H,32,35).
What are the key properties of 5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(1-cyclohexylethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(1-cyclohexylethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 601.76 g/mol, XLogP of 6.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(1-cyclohexylethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118185938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).