4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide

C20H31N3O4S — CID 32542801

IUPAC4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C20H31N3O4S/c1-5-23(6-2)28(26,27)18-9-7-16(8-10-18)19(24)21-17-11-13-22(14-12-17)20(25)15(3)4/h7-10,15,17H,5-6,11-14H2,1-4H3,(H,21,24)
InChIKeyPTOXEISFCKRLML-UHFFFAOYSA-N
MW409.55 g/mol
LogP2.09
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide

4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide (PubChem CID 32542801) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
PubChem CID32542801
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC Name4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C20H31N3O4S/c1-5-23(6-2)28(26,27)18-9-7-16(8-10-18)19(24)21-17-11-13-22(14-12-17)20(25)15(3)4/h7-10,15,17H,5-6,11-14H2,1-4H3,(H,21,24)
InChIKeyPTOXEISFCKRLML-UHFFFAOYSA-N
XLogP2.09
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55721603
4-(diethylsulfamoyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388262
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542222
4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278776
4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 55950765
4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55859491
4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 30855543
ethyl [4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108548646
N-cycloheptyl-4-(dipropylsulfamoyl)benzamide
CID 109061201
N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-oxidopyridin-1-ium-3-carboxamide
CID 30855451
N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 7601424

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide (CID 32542801) is 4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)C(C)C)CC2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The InChIKey is PTOXEISFCKRLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-5-23(6-2)28(26,27)18-9-7-16(8-10-18)19(24)21-17-11-13-22(14-12-17)20(25)15(3)4/h7-10,15,17H,5-6,11-14H2,1-4H3,(H,21,24).
What are the key properties of 4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide has a molecular weight of 409.55 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 32542801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).