4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide

C23H31N3O3S — CID 84975147

IUPAC4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCN3CCCCC3C)cc2)cc1
InChIInChI=1S/C23H31N3O3S/c1-18-7-11-21(12-8-18)25-30(28,29)22-13-9-20(10-14-22)23(27)24-15-5-17-26-16-4-3-6-19(26)2/h7-14,19,25H,3-6,15-17H2,1-2H3,(H,24,27)
InChIKeyAQHFHTQTQKTGEX-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.79
Rot. Bonds8

About 4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide

4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 84975147) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
PubChem CID84975147
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCN3CCCCC3C)cc2)cc1
InChIInChI=1S/C23H31N3O3S/c1-18-7-11-21(12-8-18)25-30(28,29)22-13-9-20(10-14-22)23(27)24-15-5-17-26-16-4-3-6-19(26)2/h7-14,19,25H,3-6,15-17H2,1-2H3,(H,24,27)
InChIKeyAQHFHTQTQKTGEX-UHFFFAOYSA-N
XLogP3.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
ethyl N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
CID 9473918
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549
4-[(4-methylphenyl)sulfamoyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364351
4-cyano-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553
N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9473547
2-methyl-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370825
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide (CID 84975147) is 4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCN3CCCCC3C)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is AQHFHTQTQKTGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-18-7-11-21(12-8-18)25-30(28,29)22-13-9-20(10-14-22)23(27)24-15-5-17-26-16-4-3-6-19(26)2/h7-14,19,25H,3-6,15-17H2,1-2H3,(H,24,27).
What are the key properties of 4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 429.59 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 84975147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).