N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide

C27H31N3O3S — CID 4783068

IUPACN-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H31N3O3S/c1-2-30(25-11-7-4-8-12-25)34(32,33)26-15-13-23(14-16-26)27(31)28-24-17-19-29(20-18-24)21-22-9-5-3-6-10-22/h3-16,24H,2,17-21H2,1H3,(H,28,31)
InChIKeySAELUZHUVGEPDC-UHFFFAOYSA-N
MW477.63 g/mol
LogP4.30
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide

N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 4783068) has the molecular formula C27H31N3O3S and a molecular weight of 477.63 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID4783068
Molecular FormulaC27H31N3O3S
Molecular Weight477.63 g/mol
Exact Mass477.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H31N3O3S/c1-2-30(25-11-7-4-8-12-25)34(32,33)26-15-13-23(14-16-26)27(31)28-24-17-19-29(20-18-24)21-22-9-5-3-6-10-22/h3-16,24H,2,17-21H2,1H3,(H,28,31)
InChIKeySAELUZHUVGEPDC-UHFFFAOYSA-N
XLogP4.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide (CID 4783068) is N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is SAELUZHUVGEPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3S/c1-2-30(25-11-7-4-8-12-25)34(32,33)26-15-13-23(14-16-26)27(31)28-24-17-19-29(20-18-24)21-22-9-5-3-6-10-22/h3-16,24H,2,17-21H2,1H3,(H,28,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 477.63 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4783068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).