3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide

C23H31N3O3S — CID 55753935

IUPAC3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NC2CCN(Cc3ccccc3C)CC2)cc(C)c1C
InChIInChI=1S/C23H31N3O3S/c1-16-7-5-6-8-19(16)15-26-11-9-21(10-12-26)25-23(27)20-13-17(2)18(3)22(14-20)30(28,29)24-4/h5-8,13-14,21,24H,9-12,15H2,1-4H3,(H,25,27)
InChIKeyNTQIUXINLRHFBO-UHFFFAOYSA-N
MW429.59 g/mol
LogP2.91
Rot. Bonds6

About 3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide

3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide (PubChem CID 55753935) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide
PubChem CID55753935
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NC2CCN(Cc3ccccc3C)CC2)cc(C)c1C
InChIInChI=1S/C23H31N3O3S/c1-16-7-5-6-8-19(16)15-26-11-9-21(10-12-26)25-23(27)20-13-17(2)18(3)22(14-20)30(28,29)24-4/h5-8,13-14,21,24H,9-12,15H2,1-4H3,(H,25,27)
InChIKeyNTQIUXINLRHFBO-UHFFFAOYSA-N
XLogP2.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)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

5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55754112
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
CID 136577828
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide
CID 55753843
3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 119047224
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide
CID 55911141
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043015
1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 86997426
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 47134698
5-(4-benzylpiperidine-1-carbonyl)-N,2,3-trimethylbenzenesulfonamide
CID 24639837
N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 55753716
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55973375

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide?
The IUPAC name of 3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide (CID 55753935) is 3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NC2CCN(Cc3ccccc3C)CC2)cc(C)c1C.
What is the InChIKey of 3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide?
The InChIKey is NTQIUXINLRHFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-16-7-5-6-8-19(16)15-26-11-9-21(10-12-26)25-23(27)20-13-17(2)18(3)22(14-20)30(28,29)24-4/h5-8,13-14,21,24H,9-12,15H2,1-4H3,(H,25,27).
What are the key properties of 3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide?
3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide has a molecular weight of 429.59 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55753935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).