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

C22H23N3O3S — CID 1210836

IUPAC4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1ccccc1CN(c1ccc(C(=O)NCc2ccncc2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H23N3O3S/c1-17-5-3-4-6-20(17)16-25(29(2,27)28)21-9-7-19(8-10-21)22(26)24-15-18-11-13-23-14-12-18/h3-14H,15-16H2,1-2H3,(H,24,26)
InChIKeyBRILRTBVKNOCMZ-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.29
Rot. Bonds7

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

4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 1210836) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID1210836
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1ccccc1CN(c1ccc(C(=O)NCc2ccncc2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H23N3O3S/c1-17-5-3-4-6-20(17)16-25(29(2,27)28)21-9-7-19(8-10-21)22(26)24-15-18-11-13-23-14-12-18/h3-14H,15-16H2,1-2H3,(H,24,26)
InChIKeyBRILRTBVKNOCMZ-UHFFFAOYSA-N
XLogP3.29
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126184390
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 126139418
4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 900511
N,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126119642
N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 989117
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 46764281
4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 1107721
N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126117559
4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide
CID 1295557
N-(cyclododecylideneamino)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126119637
N-(4-methoxyphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1315945
4-[benzyl(methylsulfonyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43908963

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide (CID 1210836) is 4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide is Cc1ccccc1CN(c1ccc(C(=O)NCc2ccncc2)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is BRILRTBVKNOCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-17-5-3-4-6-20(17)16-25(29(2,27)28)21-9-7-19(8-10-21)22(26)24-15-18-11-13-23-14-12-18/h3-14H,15-16H2,1-2H3,(H,24,26).
What are the key properties of 4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide?
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 1210836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).