3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide

C24H33N3O3S — CID 30540723

IUPAC3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCCN2CCCCC2)ccc1C
InChIInChI=1S/C24H33N3O3S/c1-3-27(22-11-6-4-7-12-22)31(29,30)23-19-21(14-13-20(23)2)24(28)25-15-10-18-26-16-8-5-9-17-26/h4,6-7,11-14,19H,3,5,8-10,15-18H2,1-2H3,(H,25,28)
InChIKeyBKDGTVFBSNKHFE-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.82
Rot. Bonds9

About 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide

3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 30540723) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID30540723
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC Name3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCCN2CCCCC2)ccc1C
InChIInChI=1S/C24H33N3O3S/c1-3-27(22-11-6-4-7-12-22)31(29,30)23-19-21(14-13-20(23)2)24(28)25-15-10-18-26-16-8-5-9-17-26/h4,6-7,11-14,19H,3,5,8-10,15-18H2,1-2H3,(H,25,28)
InChIKeyBKDGTVFBSNKHFE-UHFFFAOYSA-N
XLogP3.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-propylbenzamide
CID 18104844
N-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30738697
3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 24504087
4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 11638289
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide
CID 4849587
4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 132672969
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide
CID 27647029
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020134
9-oxo-N-(3-piperidin-1-ylpropyl)fluorene-2-carboxamide
CID 25467153
N-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide
CID 24687613

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide (CID 30540723) is 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide is CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCCN2CCCCC2)ccc1C.
What is the InChIKey of 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is BKDGTVFBSNKHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-3-27(22-11-6-4-7-12-22)31(29,30)23-19-21(14-13-20(23)2)24(28)25-15-10-18-26-16-8-5-9-17-26/h4,6-7,11-14,19H,3,5,8-10,15-18H2,1-2H3,(H,25,28).
What are the key properties of 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide?
3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 443.61 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 30540723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).