3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide

C24H33N3O4S — CID 55387091

IUPAC3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)CC1
InChIInChI=1S/C24H33N3O4S/c1-4-14-27-15-12-21(13-16-27)25-24(28)20-10-11-22(31-3)23(17-20)32(29,30)26(2)18-19-8-6-5-7-9-19/h5-11,17,21H,4,12-16,18H2,1-3H3,(H,25,28)
InChIKeyDUSYRPCNDGIYNF-UHFFFAOYSA-N
MW459.61 g/mol
LogP3.12
Rot. Bonds9

About 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide

3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 55387091) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID55387091
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)CC1
InChIInChI=1S/C24H33N3O4S/c1-4-14-27-15-12-21(13-16-27)25-24(28)20-10-11-22(31-3)23(17-20)32(29,30)26(2)18-19-8-6-5-7-9-19/h5-11,17,21H,4,12-16,18H2,1-3H3,(H,25,28)
InChIKeyDUSYRPCNDGIYNF-UHFFFAOYSA-N
XLogP3.12
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 31118187
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119503968
3-(dimethylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 26877374
3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide
CID 9264466
3-[bromo(phenyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide
CID 91250314
3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide
CID 55361577
3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 99968240
ethyl 4-[(4-methoxy-3-methylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 110413308
3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide
CID 56517189
N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 55589275
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55489776
1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 78832230

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide (CID 55387091) is 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)CC1.
What is the InChIKey of 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is DUSYRPCNDGIYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-4-14-27-15-12-21(13-16-27)25-24(28)20-10-11-22(31-3)23(17-20)32(29,30)26(2)18-19-8-6-5-7-9-19/h5-11,17,21H,4,12-16,18H2,1-3H3,(H,25,28).
What are the key properties of 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide?
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 459.61 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 55387091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).