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

C16H19N3O3S — CID 17200575

IUPAC4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-3-23(21,22)19(2)15-6-4-14(5-7-15)16(20)18-12-13-8-10-17-11-9-13/h4-11H,3,12H2,1-2H3,(H,18,20)
InChIKeyOGPHHQJDMNUTRR-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.80
Rot. Bonds6

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

4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 17200575) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID17200575
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-3-23(21,22)19(2)15-6-4-14(5-7-15)16(20)18-12-13-8-10-17-11-9-13/h4-11H,3,12H2,1-2H3,(H,18,20)
InChIKeyOGPHHQJDMNUTRR-UHFFFAOYSA-N
XLogP1.80
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 900511
4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 21368424
N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 53280666
4-(dipropylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109060953
4-[ethylsulfonyl(methyl)amino]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56699116
4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047745
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158137
4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 50945648
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047086
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 1210836

Frequently Asked Questions

What is the IUPAC name of 4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide (CID 17200575) is 4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide is CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccncc2)cc1.
What is the InChIKey of 4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is OGPHHQJDMNUTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-3-23(21,22)19(2)15-6-4-14(5-7-15)16(20)18-12-13-8-10-17-11-9-13/h4-11H,3,12H2,1-2H3,(H,18,20).
What are the key properties of 4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide?
4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 333.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 17200575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).