5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide

C25H33Cl2N3O3S2 — CID 118185806

IUPAC5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCCCC3)nc2CC2CCC2)c(Cl)c1Cl
InChIInChI=1S/C25H33Cl2N3O3S2/c1-25(2,3)30-35(32,33)19-13-12-17(20(26)21(19)27)22-18(14-15-8-7-9-15)29-24(34-22)23(31)28-16-10-5-4-6-11-16/h12-13,15-16,30H,4-11,14H2,1-3H3,(H,28,31)
InChIKeyWGPLOICIUYBRFT-UHFFFAOYSA-N
MW558.60 g/mol
LogP6.60
Rot. Bonds7

About 5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide

5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide (PubChem CID 118185806) has the molecular formula C25H33Cl2N3O3S2 and a molecular weight of 558.60 g/mol. Its IUPAC name is 5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide
PubChem CID118185806
Molecular FormulaC25H33Cl2N3O3S2
Molecular Weight558.60 g/mol
Exact Mass557.13
IUPAC Name5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCCCC3)nc2CC2CCC2)c(Cl)c1Cl
InChIInChI=1S/C25H33Cl2N3O3S2/c1-25(2,3)30-35(32,33)19-13-12-17(20(26)21(19)27)22-18(14-15-8-7-9-15)29-24(34-22)23(31)28-16-10-5-4-6-11-16/h12-13,15-16,30H,4-11,14H2,1-3H3,(H,28,31)
InChIKeyWGPLOICIUYBRFT-UHFFFAOYSA-N
XLogP6.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.60
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(tert-butylsulfamoyl)-3-chloro-2-methylphenyl]-4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 118185798
5-[4-(tert-butylsulfamoyl)-2-methylphenyl]-N-cyclobutyl-4-(cyclohexylmethyl)-1,3-thiazole-2-carboxamide;carbon dioxide
CID 161368432
N-tert-butyl-2,3-dichloro-4-[4-(cyclohexylmethyl)-2-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide
CID 118185691
3-[[5-[4-(tert-butylsulfamoyl)-3-methyl-2-(trifluoromethyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 118188692
3-[[[5-[4-(tert-butylsulfamoyl)-2-chloro-3-(trifluoromethyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 162592777
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-[4-(tert-butylsulfamoyl)-3-(difluoromethoxy)phenyl]-4-(cyclohexylmethyl)-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 118188720
5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-(2-cyano-2-methylpropyl)-4-(cyclohexylmethyl)-1,3-thiazole-2-carboxamide
CID 72549189
4-(cyclobutylmethyl)-5-[2,3-dichloro-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]-N-[(3-hydroxyoxetan-3-yl)methyl]-1,3-thiazole-2-carboxamide
CID 118186068
3-[[4-(cyclobutylmethyl)-5-[1-(2-methylbutan-2-ylsulfamoyl)isoquinolin-4-yl]-1,3-thiazole-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 118185958
N-cyclobutyl-4-(cyclohexylmethyl)-5-(2,6-ditert-butyl-1-oxidopyridin-1-ium-4-yl)-1,3-thiazole-2-carboxamide
CID 118185745
5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-cyclohexyl-4-(cyclohexylmethyl)-1,3-oxazole-2-carboxamide
CID 118186079

Frequently Asked Questions

What is the IUPAC name of 5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide (CID 118185806) is 5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCCCC3)nc2CC2CCC2)c(Cl)c1Cl.
What is the InChIKey of 5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide?
The InChIKey is WGPLOICIUYBRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33Cl2N3O3S2/c1-25(2,3)30-35(32,33)19-13-12-17(20(26)21(19)27)22-18(14-15-8-7-9-15)29-24(34-22)23(31)28-16-10-5-4-6-11-16/h12-13,15-16,30H,4-11,14H2,1-3H3,(H,28,31).
What are the key properties of 5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide?
5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide has a molecular weight of 558.60 g/mol, XLogP of 6.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118185806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).