4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

C19H31N3O3S — CID 30541364

IUPAC4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCN(CCCNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C19H31N3O3S/c1-16-9-14-22(15-10-16)13-3-11-20-19(23)18-6-4-17(5-7-18)8-12-21-26(2,24)25/h4-7,16,21H,3,8-15H2,1-2H3,(H,20,23)
InChIKeyZMBFGMARIFCZAU-UHFFFAOYSA-N
MW381.54 g/mol
LogP1.63
Rot. Bonds9

About 4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 30541364) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
PubChem CID30541364
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCN(CCCNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C19H31N3O3S/c1-16-9-14-22(15-10-16)13-3-11-20-19(23)18-6-4-17(5-7-18)8-12-21-26(2,24)25/h4-7,16,21H,3,8-15H2,1-2H3,(H,20,23)
InChIKeyZMBFGMARIFCZAU-UHFFFAOYSA-N
XLogP1.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 92672834
4-(cyclopropylsulfamoyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 18150983
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 30541274
5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 35416141
2-methyl-1-[4-(4-methylpiperidin-1-yl)butyl]-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine;hydroiodide
CID 111613351
3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 50945337
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 81295151
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
N-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 46773354
4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884155

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (CID 30541364) is 4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is CC1CCN(CCCNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is ZMBFGMARIFCZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-16-9-14-22(15-10-16)13-3-11-20-19(23)18-6-4-17(5-7-18)8-12-21-26(2,24)25/h4-7,16,21H,3,8-15H2,1-2H3,(H,20,23).
What are the key properties of 4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 381.54 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 30541364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).