3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide

C25H35N3O4S — CID 55724690

IUPAC3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCCN3CCC(C)CC3)ccc2C)cc1
InChIInChI=1S/C25H35N3O4S/c1-19-12-16-28(17-13-19)15-5-4-14-26-25(29)21-7-6-20(2)24(18-21)33(30,31)27-22-8-10-23(32-3)11-9-22/h6-11,18-19,27H,4-5,12-17H2,1-3H3,(H,26,29)
InChIKeyJRCGLEZHJYYYOM-UHFFFAOYSA-N
MW473.64 g/mol
LogP4.05
Rot. Bonds10

About 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide

3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide (PubChem CID 55724690) has the molecular formula C25H35N3O4S and a molecular weight of 473.64 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
PubChem CID55724690
Molecular FormulaC25H35N3O4S
Molecular Weight473.64 g/mol
Exact Mass473.23
IUPAC Name3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCCN3CCC(C)CC3)ccc2C)cc1
InChIInChI=1S/C25H35N3O4S/c1-19-12-16-28(17-13-19)15-5-4-14-26-25(29)21-7-6-20(2)24(18-21)33(30,31)27-22-8-10-23(32-3)11-9-22/h6-11,18-19,27H,4-5,12-17H2,1-3H3,(H,26,29)
InChIKeyJRCGLEZHJYYYOM-UHFFFAOYSA-N
XLogP4.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 25162121
N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 119507136
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 2373077
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 35161549
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416969
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 31093187
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
N-cyclopropyl-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 4785355
N-[2-(azepan-1-yl)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 37297933
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide (CID 55724690) is 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCCN3CCC(C)CC3)ccc2C)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide?
The InChIKey is JRCGLEZHJYYYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4S/c1-19-12-16-28(17-13-19)15-5-4-14-26-25(29)21-7-6-20(2)24(18-21)33(30,31)27-22-8-10-23(32-3)11-9-22/h6-11,18-19,27H,4-5,12-17H2,1-3H3,(H,26,29).
What are the key properties of 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide?
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide has a molecular weight of 473.64 g/mol, XLogP of 4.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide is sourced from PubChem (CID 55724690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).