2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide

C26H29N3O3S — CID 100512380

IUPAC2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2C)cc1
InChIInChI=1S/C26H29N3O3S/c1-19-9-15-23(16-10-19)33(31,32)28-25-8-6-7-24(20(25)2)26(30)27-21-11-13-22(14-12-21)29-17-4-3-5-18-29/h6-16,28H,3-5,17-18H2,1-2H3,(H,27,30)
InChIKeyWBYOQNJVENIBJR-UHFFFAOYSA-N
MW463.60 g/mol
LogP5.35
Rot. Bonds6

About 2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide

2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 100512380) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is 2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID100512380
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2C)cc1
InChIInChI=1S/C26H29N3O3S/c1-19-9-15-23(16-10-19)33(31,32)28-25-8-6-7-24(20(25)2)26(30)27-21-11-13-22(14-12-21)29-17-4-3-5-18-29/h6-16,28H,3-5,17-18H2,1-2H3,(H,27,30)
InChIKeyWBYOQNJVENIBJR-UHFFFAOYSA-N
XLogP5.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.60
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062451
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062466
2-methyl-3-nitro-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960700
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
N-cyclopentyl-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062446
2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55815022
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100522105
N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
CID 6459006
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055
3-(methanesulfonamido)-2-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92673482
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide (CID 100512380) is 2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2C)cc1.
What is the InChIKey of 2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is WBYOQNJVENIBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-19-9-15-23(16-10-19)33(31,32)28-25-8-6-7-24(20(25)2)26(30)27-21-11-13-22(14-12-21)29-17-4-3-5-18-29/h6-16,28H,3-5,17-18H2,1-2H3,(H,27,30).
What are the key properties of 2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide?
2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 463.60 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 100512380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).