4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide

C15H17N3O3S — CID 900511

IUPAC4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide
SMILESCN(c1ccc(C(=O)NCc2ccncc2)cc1)S(C)(=O)=O
InChIInChI=1S/C15H17N3O3S/c1-18(22(2,20)21)14-5-3-13(4-6-14)15(19)17-11-12-7-9-16-10-8-12/h3-10H,11H2,1-2H3,(H,17,19)
InChIKeyASEYBRXXAPRMGU-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.41
Rot. Bonds5

About 4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide

4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 900511) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID900511
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide
SMILESCN(c1ccc(C(=O)NCc2ccncc2)cc1)S(C)(=O)=O
InChIInChI=1S/C15H17N3O3S/c1-18(22(2,20)21)14-5-3-13(4-6-14)15(19)17-11-12-7-9-16-10-8-12/h3-10H,11H2,1-2H3,(H,17,19)
InChIKeyASEYBRXXAPRMGU-UHFFFAOYSA-N
XLogP1.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 17200575
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 92673554
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 1210836
4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
CID 53279666
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(pyridin-4-ylmethyl)butanamide
CID 133210687
N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide
CID 91671626
4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 21368424
N-methyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 4662443
4-(dipropylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109060953
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047745
4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047086

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide (CID 900511) is 4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide is CN(c1ccc(C(=O)NCc2ccncc2)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is ASEYBRXXAPRMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-18(22(2,20)21)14-5-3-13(4-6-14)15(19)17-11-12-7-9-16-10-8-12/h3-10H,11H2,1-2H3,(H,17,19).
What are the key properties of 4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide?
4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 319.39 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 900511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).