4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide

C29H29N3O3S — CID 55982328

IUPAC4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(Cc3cccnc3)Cc3ccccc3C)cc2)cc1
InChIInChI=1S/C29H29N3O3S/c1-22-10-16-28(17-11-22)36(34,35)31(3)27-14-12-25(13-15-27)29(33)32(20-24-8-6-18-30-19-24)21-26-9-5-4-7-23(26)2/h4-19H,20-21H2,1-3H3
InChIKeyMRWUGIPURAHVFY-UHFFFAOYSA-N
MW499.64 g/mol
LogP5.37
Rot. Bonds8

About 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide

4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 55982328) has the molecular formula C29H29N3O3S and a molecular weight of 499.64 g/mol. Its IUPAC name is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID55982328
Molecular FormulaC29H29N3O3S
Molecular Weight499.64 g/mol
Exact Mass499.19
IUPAC Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(Cc3cccnc3)Cc3ccccc3C)cc2)cc1
InChIInChI=1S/C29H29N3O3S/c1-22-10-16-28(17-11-22)36(34,35)31(3)27-14-12-25(13-15-27)29(33)32(20-24-8-6-18-30-19-24)21-26-9-5-4-7-23(26)2/h4-19H,20-21H2,1-3H3
InChIKeyMRWUGIPURAHVFY-UHFFFAOYSA-N
XLogP5.37
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.64
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)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

3-(diethylsulfamoyl)-4-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55983350
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 52725239
3-(diethylsulfamoyl)-4-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55983352
3-(azepan-1-ylsulfonyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55981939
N-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 55983221
4-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360477
N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788127
4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4801676
4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide
CID 1210805
N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 126373552
pyridin-3-ylmethyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 18083751
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide (CID 55982328) is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(Cc3cccnc3)Cc3ccccc3C)cc2)cc1.
What is the InChIKey of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is MRWUGIPURAHVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3S/c1-22-10-16-28(17-11-22)36(34,35)31(3)27-14-12-25(13-15-27)29(33)32(20-24-8-6-18-30-19-24)21-26-9-5-4-7-23(26)2/h4-19H,20-21H2,1-3H3.
What are the key properties of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 499.64 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 55982328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).