N-(1-benzylpiperidin-4-yl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C26H29N3O4S — CID 24980982

IUPACN-(1-benzylpiperidin-4-yl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C26H29N3O4S/c1-33-25-13-6-5-12-24(25)28-34(31,32)23-11-7-10-21(18-23)26(30)27-22-14-16-29(17-15-22)19-20-8-3-2-4-9-20/h2-13,18,22,28H,14-17,19H2,1H3,(H,27,30)
InChIKeyRZPNFMVOHXKCMH-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.89
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide

N-(1-benzylpiperidin-4-yl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 24980982) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID24980982
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C26H29N3O4S/c1-33-25-13-6-5-12-24(25)28-34(31,32)23-11-7-10-21(18-23)26(30)27-22-14-16-29(17-15-22)19-20-8-3-2-4-9-20/h2-13,18,22,28H,14-17,19H2,1H3,(H,27,30)
InChIKeyRZPNFMVOHXKCMH-UHFFFAOYSA-N
XLogP3.89
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 24980982) is N-(1-benzylpiperidin-4-yl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is RZPNFMVOHXKCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-33-25-13-6-5-12-24(25)28-34(31,32)23-11-7-10-21(18-23)26(30)27-22-14-16-29(17-15-22)19-20-8-3-2-4-9-20/h2-13,18,22,28H,14-17,19H2,1H3,(H,27,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-(1-benzylpiperidin-4-yl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 479.60 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24980982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).