4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

C19H26N4O4S2 — CID 24791823

IUPAC4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)NCCc3cscn3)cc2)CC1
InChIInChI=1S/C19H26N4O4S2/c1-22(2)29(25,26)23-11-8-18(9-12-23)27-17-5-3-15(4-6-17)19(24)20-10-7-16-13-28-14-21-16/h3-6,13-14,18H,7-12H2,1-2H3,(H,20,24)
InChIKeyCIPQWZLHWGPCKL-UHFFFAOYSA-N
MW438.58 g/mol
LogP1.77
Rot. Bonds8

About 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 24791823) has the molecular formula C19H26N4O4S2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID24791823
Molecular FormulaC19H26N4O4S2
Molecular Weight438.58 g/mol
Exact Mass438.14
IUPAC Name4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)NCCc3cscn3)cc2)CC1
InChIInChI=1S/C19H26N4O4S2/c1-22(2)29(25,26)23-11-8-18(9-12-23)27-17-5-3-15(4-6-17)19(24)20-10-7-16-13-28-14-21-16/h3-6,13-14,18H,7-12H2,1-2H3,(H,20,24)
InChIKeyCIPQWZLHWGPCKL-UHFFFAOYSA-N
XLogP1.77
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (CID 24791823) is 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is CN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)NCCc3cscn3)cc2)CC1.
What is the InChIKey of 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is CIPQWZLHWGPCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S2/c1-22(2)29(25,26)23-11-8-18(9-12-23)27-17-5-3-15(4-6-17)19(24)20-10-7-16-13-28-14-21-16/h3-6,13-14,18H,7-12H2,1-2H3,(H,20,24).
What are the key properties of 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 438.58 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 24791823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).