4-(dipropylsulfamoyl)-N-(2-piperidin-1-ylethyl)benzamide

C20H33N3O3S — CID 122180169

IUPAC4-(dipropylsulfamoyl)-N-(2-piperidin-1-ylethyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCN2CCCCC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-3-13-23(14-4-2)27(25,26)19-10-8-18(9-11-19)20(24)21-12-17-22-15-6-5-7-16-22/h8-11H,3-7,12-17H2,1-2H3,(H,21,24)
InChIKeyHCXBZZHMVMFRNH-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.71
Rot. Bonds10

About 4-(dipropylsulfamoyl)-N-(2-piperidin-1-ylethyl)benzamide

4-(dipropylsulfamoyl)-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 122180169) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID122180169
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC Name4-(dipropylsulfamoyl)-N-(2-piperidin-1-ylethyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCN2CCCCC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-3-13-23(14-4-2)27(25,26)19-10-8-18(9-11-19)20(24)21-12-17-22-15-6-5-7-16-22/h8-11H,3-7,12-17H2,1-2H3,(H,21,24)
InChIKeyHCXBZZHMVMFRNH-UHFFFAOYSA-N
XLogP2.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 4-(dipropylsulfamoyl)-N-(2-piperidin-1-ylethyl)benzamide (CID 122180169) is 4-(dipropylsulfamoyl)-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-(dipropylsulfamoyl)-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 4-(dipropylsulfamoyl)-N-(2-piperidin-1-ylethyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCN2CCCCC2)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is HCXBZZHMVMFRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-3-13-23(14-4-2)27(25,26)19-10-8-18(9-11-19)20(24)21-12-17-22-15-6-5-7-16-22/h8-11H,3-7,12-17H2,1-2H3,(H,21,24).
What are the key properties of 4-(dipropylsulfamoyl)-N-(2-piperidin-1-ylethyl)benzamide?
4-(dipropylsulfamoyl)-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 395.57 g/mol, XLogP of 2.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 122180169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).