5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-sulfonamide

C24H37N3O4S3 — CID 118185759

IUPAC5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(S(N)(=O)=O)nc2CC2CCCCC2)cc1C(C)(C)C
InChIInChI=1S/C24H37N3O4S3/c1-23(2,3)18-15-17(12-13-20(18)34(30,31)27-24(4,5)6)21-19(14-16-10-8-7-9-11-16)26-22(32-21)33(25,28)29/h12-13,15-16,27H,7-11,14H2,1-6H3,(H2,25,28,29)
InChIKeyBFTKANFGFHYDND-UHFFFAOYSA-N
MW527.78 g/mol
LogP4.95
Rot. Bonds6

About 5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-sulfonamide

5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-sulfonamide (PubChem CID 118185759) has the molecular formula C24H37N3O4S3 and a molecular weight of 527.78 g/mol. Its IUPAC name is 5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound Name5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-sulfonamide
PubChem CID118185759
Molecular FormulaC24H37N3O4S3
Molecular Weight527.78 g/mol
Exact Mass527.19
IUPAC Name5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(S(N)(=O)=O)nc2CC2CCCCC2)cc1C(C)(C)C
InChIInChI=1S/C24H37N3O4S3/c1-23(2,3)18-15-17(12-13-20(18)34(30,31)27-24(4,5)6)21-19(14-16-10-8-7-9-11-16)26-22(32-21)33(25,28)29/h12-13,15-16,27H,7-11,14H2,1-6H3,(H2,25,28,29)
InChIKeyBFTKANFGFHYDND-UHFFFAOYSA-N
XLogP4.95
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.78
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-sulfonamide?
The IUPAC name of 5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-sulfonamide (CID 118185759) is 5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for 5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-sulfonamide?
The canonical SMILES for 5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-sulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(S(N)(=O)=O)nc2CC2CCCCC2)cc1C(C)(C)C.
What is the InChIKey of 5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-sulfonamide?
The InChIKey is BFTKANFGFHYDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4S3/c1-23(2,3)18-15-17(12-13-20(18)34(30,31)27-24(4,5)6)21-19(14-16-10-8-7-9-11-16)26-22(32-21)33(25,28)29/h12-13,15-16,27H,7-11,14H2,1-6H3,(H2,25,28,29).
What are the key properties of 5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-sulfonamide?
5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-sulfonamide has a molecular weight of 527.78 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 118185759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).