4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide

C17H21N3O3S — CID 50945648

IUPAC4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCCN(c1ccc(C(=O)NCc2cccnc2)cc1)S(=O)(=O)CC
InChIInChI=1S/C17H21N3O3S/c1-3-20(24(22,23)4-2)16-9-7-15(8-10-16)17(21)19-13-14-6-5-11-18-12-14/h5-12H,3-4,13H2,1-2H3,(H,19,21)
InChIKeyKGODWYXQKOBSKS-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.19
Rot. Bonds7

About 4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide

4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 50945648) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID50945648
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCCN(c1ccc(C(=O)NCc2cccnc2)cc1)S(=O)(=O)CC
InChIInChI=1S/C17H21N3O3S/c1-3-20(24(22,23)4-2)16-9-7-15(8-10-16)17(21)19-13-14-6-5-11-18-12-14/h5-12H,3-4,13H2,1-2H3,(H,19,21)
InChIKeyKGODWYXQKOBSKS-UHFFFAOYSA-N
XLogP2.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 1107721
4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360723
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4801676
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 147449748
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 17200575
4-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 87000480
4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 47265352

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide (CID 50945648) is 4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide is CCN(c1ccc(C(=O)NCc2cccnc2)cc1)S(=O)(=O)CC.
What is the InChIKey of 4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is KGODWYXQKOBSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-3-20(24(22,23)4-2)16-9-7-15(8-10-16)17(21)19-13-14-6-5-11-18-12-14/h5-12H,3-4,13H2,1-2H3,(H,19,21).
What are the key properties of 4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide?
4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 347.44 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 50945648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).