N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide

C27H31N3O3S — CID 55735053

IUPACN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCc1cccc(CN2CCC(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C27H31N3O3S/c1-21-7-6-8-22(19-21)20-30-17-15-24(16-18-30)28-27(31)23-11-13-26(14-12-23)34(32,33)29(2)25-9-4-3-5-10-25/h3-14,19,24H,15-18,20H2,1-2H3,(H,28,31)
InChIKeyPOANYEJDJHQWSC-UHFFFAOYSA-N
MW477.63 g/mol
LogP4.21
Rot. Bonds7

About N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide

N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 55735053) has the molecular formula C27H31N3O3S and a molecular weight of 477.63 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID55735053
Molecular FormulaC27H31N3O3S
Molecular Weight477.63 g/mol
Exact Mass477.21
IUPAC NameN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCc1cccc(CN2CCC(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C27H31N3O3S/c1-21-7-6-8-22(19-21)20-30-17-15-24(16-18-30)28-27(31)23-11-13-26(14-12-23)34(32,33)29(2)25-9-4-3-5-10-25/h3-14,19,24H,15-18,20H2,1-2H3,(H,28,31)
InChIKeyPOANYEJDJHQWSC-UHFFFAOYSA-N
XLogP4.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]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-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482229
4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482213
ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 31542226
3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55844142
4-(dimethylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946515
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 46476979
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 53279690
2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide
CID 55745159
N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride
CID 6602988
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide
CID 55945588
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 55735053) is N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is Cc1cccc(CN2CCC(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)CC2)c1.
What is the InChIKey of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is POANYEJDJHQWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3S/c1-21-7-6-8-22(19-21)20-30-17-15-24(16-18-30)28-27(31)23-11-13-26(14-12-23)34(32,33)29(2)25-9-4-3-5-10-25/h3-14,19,24H,15-18,20H2,1-2H3,(H,28,31).
What are the key properties of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 477.63 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55735053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).