4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-5-[2-methyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide

C25H37N3O4S2 — CID 118185813

IUPAC4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-5-[2-methyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC(C)(C)O)nc2CC2CCC2)c(C)c1
InChIInChI=1S/C25H37N3O4S2/c1-7-24(3,4)28-34(31,32)18-11-12-19(16(2)13-18)21-20(14-17-9-8-10-17)27-23(33-21)22(29)26-15-25(5,6)30/h11-13,17,28,30H,7-10,14-15H2,1-6H3,(H,26,29)
InChIKeyPOXFYIORBBUWSA-UHFFFAOYSA-N
MW507.72 g/mol
LogP4.43
Rot. Bonds10

About 4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-5-[2-methyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide

4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-5-[2-methyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 118185813) has the molecular formula C25H37N3O4S2 and a molecular weight of 507.72 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-5-[2-methyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-5-[2-methyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide
PubChem CID118185813
Molecular FormulaC25H37N3O4S2
Molecular Weight507.72 g/mol
Exact Mass507.22
IUPAC Name4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-5-[2-methyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC(C)(C)O)nc2CC2CCC2)c(C)c1
InChIInChI=1S/C25H37N3O4S2/c1-7-24(3,4)28-34(31,32)18-11-12-19(16(2)13-18)21-20(14-17-9-8-10-17)27-23(33-21)22(29)26-15-25(5,6)30/h11-13,17,28,30H,7-10,14-15H2,1-6H3,(H,26,29)
InChIKeyPOXFYIORBBUWSA-UHFFFAOYSA-N
XLogP4.43
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.72
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(tert-butylsulfamoyl)-2-methylphenyl]-N-cyclobutyl-4-(cyclohexylmethyl)-1,3-thiazole-2-carboxamide;carbon dioxide
CID 161368432
5-[2-chloro-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]-4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 72549408
5-[4-(tert-butylsulfamoyl)-3-chloro-2-methylphenyl]-4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 118185798
4-(cyclobutylmethyl)-5-[4-(2,2-dimethylpropylsulfonyl)naphthalen-1-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 118185651
5-[3-chloro-2-(difluoromethyl)-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]-4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 118185969
3-[[4-(cyclobutylmethyl)-5-[1-(2-methylbutan-2-ylsulfamoyl)isoquinolin-4-yl]-1,3-thiazole-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 118185958
5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-N-(2-cyano-2-methylpropyl)-4-(cyclohexylmethyl)-1,3-thiazole-2-carboxamide
CID 72549189
5-[4-(tert-butylsulfamoyl)-2,3-dichlorophenyl]-4-(cyclobutylmethyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide
CID 118185806
4-(cyclobutylmethyl)-N-(3-hydroxy-3-methylbutyl)-5-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]naphthalen-1-yl]-1,3-thiazole-2-carboxamide
CID 118185878
4-(cyclohexylmethyl)-5-[4-(2,2-dimethylpropylsulfonyl)naphthalen-1-yl]-N-(2-isocyano-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 161022539
4-(cyclohexylmethyl)-5-[4-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-1-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 118185887
N-(4-amino-3,3-dimethyl-4-oxobutyl)-5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-4-(cyclohexylmethyl)-1,3-thiazole-2-carboxamide
CID 118160611

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-5-[2-methyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-5-[2-methyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide (CID 118185813) is 4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-5-[2-methyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-5-[2-methyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-5-[2-methyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide is CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NCC(C)(C)O)nc2CC2CCC2)c(C)c1.
What is the InChIKey of 4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-5-[2-methyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is POXFYIORBBUWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4S2/c1-7-24(3,4)28-34(31,32)18-11-12-19(16(2)13-18)21-20(14-17-9-8-10-17)27-23(33-21)22(29)26-15-25(5,6)30/h11-13,17,28,30H,7-10,14-15H2,1-6H3,(H,26,29).
What are the key properties of 4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-5-[2-methyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide?
4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-5-[2-methyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 507.72 g/mol, XLogP of 4.43, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-5-[2-methyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118185813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).