propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

C23H33N3O4S2 — CID 155115451

IUPACpropan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
SMILESCC(C)OC(=O)NC1CCC(c2ncc(-c3ccccc3S(=O)(=O)NC(C)(C)C)s2)CC1
InChIInChI=1S/C23H33N3O4S2/c1-15(2)30-22(27)25-17-12-10-16(11-13-17)21-24-14-19(31-21)18-8-6-7-9-20(18)32(28,29)26-23(3,4)5/h6-9,14-17,26H,10-13H2,1-5H3,(H,25,27)
InChIKeyPOAQPHPRTKXEOM-UHFFFAOYSA-N
MW479.67 g/mol
LogP5.05
Rot. Bonds6

About propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (PubChem CID 155115451) has the molecular formula C23H33N3O4S2 and a molecular weight of 479.67 g/mol. Its IUPAC name is propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
PubChem CID155115451
Molecular FormulaC23H33N3O4S2
Molecular Weight479.67 g/mol
Exact Mass479.19
IUPAC Namepropan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
SMILESCC(C)OC(=O)NC1CCC(c2ncc(-c3ccccc3S(=O)(=O)NC(C)(C)C)s2)CC1
InChIInChI=1S/C23H33N3O4S2/c1-15(2)30-22(27)25-17-12-10-16(11-13-17)21-24-14-19(31-21)18-8-6-7-9-20(18)32(28,29)26-23(3,4)5/h6-9,14-17,26H,10-13H2,1-5H3,(H,25,27)
InChIKeyPOAQPHPRTKXEOM-UHFFFAOYSA-N
XLogP5.05
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl N-[4-[5-[4-(2-aminoethoxy)-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115533
propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-pyridin-3-ylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115417
propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115440
propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(6-cyano-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115435
azane;methane;propan-2-yl N-[4-[5-(2-chlorosulfonylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;propan-2-yl N-[4-[5-(2-sulfamoylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate;hydrate
CID 167702923
[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]-(pyridin-2-ylmethyl)carbamic acid
CID 154976441
propan-2-yl N-[4-[5-[4-(1-benzofuran-5-yl)-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115427
propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(3-methyl-1H-indol-6-yl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115312
methane;propan-2-yl N-[4-[2-(4-aminocyclohexyl)-1,3-thiazol-5-yl]-3-(tert-butylsulfamoyl)phenyl]carbamate;propan-2-yl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate;propan-2-yl carbonochloridate
CID 158526795
propan-2-yl N-[4-[5-[6-(tert-butylsulfamoyl)-2-[ethylamino(hydroxy)methyl]-1H-indol-5-yl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 167262783
N-tert-butyl-2-methyl-5-(3-methylbutoxy)benzenesulfonamide;propan-2-yl N-[4-(5-bromo-1,3-thiazol-2-yl)cyclohexyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 157370403
propan-2-yl N-[4-[5-[4-[benzylcarbamoyl(methyl)amino]-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 176872106

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (CID 155115451) is propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is CC(C)OC(=O)NC1CCC(c2ncc(-c3ccccc3S(=O)(=O)NC(C)(C)C)s2)CC1.
What is the InChIKey of propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?
The InChIKey is POAQPHPRTKXEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4S2/c1-15(2)30-22(27)25-17-12-10-16(11-13-17)21-24-14-19(31-21)18-8-6-7-9-20(18)32(28,29)26-23(3,4)5/h6-9,14-17,26H,10-13H2,1-5H3,(H,25,27).
What are the key properties of propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?
propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 479.67 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 155115451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).