1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

C25H30N4O3S2 — CID 26652312

IUPAC1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(-c2nc(CN3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)cs2)cc1
InChIInChI=1S/C25H30N4O3S2/c1-17(2)18-3-5-20(6-4-18)25-28-22(16-33-25)15-29-13-11-19(12-14-29)24(30)27-21-7-9-23(10-8-21)34(26,31)32/h3-10,16-17,19H,11-15H2,1-2H3,(H,27,30)(H2,26,31,32)
InChIKeyCYMCCGMPVYIROG-UHFFFAOYSA-N
MW498.67 g/mol
LogP4.43
Rot. Bonds7

About 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (PubChem CID 26652312) has the molecular formula C25H30N4O3S2 and a molecular weight of 498.67 g/mol. Its IUPAC name is 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
PubChem CID26652312
Molecular FormulaC25H30N4O3S2
Molecular Weight498.67 g/mol
Exact Mass498.18
IUPAC Name1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(-c2nc(CN3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)cs2)cc1
InChIInChI=1S/C25H30N4O3S2/c1-17(2)18-3-5-20(6-4-18)25-28-22(16-33-25)15-29-13-11-19(12-14-29)24(30)27-21-7-9-23(10-8-21)34(26,31)32/h3-10,16-17,19H,11-15H2,1-2H3,(H,27,30)(H2,26,31,32)
InChIKeyCYMCCGMPVYIROG-UHFFFAOYSA-N
XLogP4.43
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-2-pyridinyl)-1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 55923069
1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 16909772
3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide
CID 55738225
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 38147247
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119906545
3-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]propanoic acid
CID 122101047
N-(5-chloro-2-pyridinyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 55816063
methyl 1-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]triazole-4-carboxylate
CID 155948517
1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide
CID 55852662
1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 51260859
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56585989
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (CID 26652312) is 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is CC(C)c1ccc(-c2nc(CN3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)cs2)cc1.
What is the InChIKey of 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The InChIKey is CYMCCGMPVYIROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S2/c1-17(2)18-3-5-20(6-4-18)25-28-22(16-33-25)15-29-13-11-19(12-14-29)24(30)27-21-7-9-23(10-8-21)34(26,31)32/h3-10,16-17,19H,11-15H2,1-2H3,(H,27,30)(H2,26,31,32).
What are the key properties of 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide has a molecular weight of 498.67 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 26652312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).