4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide

C17H27N3O3S — CID 50945980

IUPAC4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCCN(c1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)CC
InChIInChI=1S/C17H27N3O3S/c1-4-20(24(22,23)5-2)16-8-6-14(7-9-16)17(21)18-15-10-12-19(3)13-11-15/h6-9,15H,4-5,10-13H2,1-3H3,(H,18,21)
InChIKeyCEHCKVZBRGTPPI-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.69
Rot. Bonds6

About 4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide

4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 50945980) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID50945980
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCCN(c1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)CC
InChIInChI=1S/C17H27N3O3S/c1-4-20(24(22,23)5-2)16-8-6-14(7-9-16)17(21)18-15-10-12-19(3)13-11-15/h6-9,15H,4-5,10-13H2,1-3H3,(H,18,21)
InChIKeyCEHCKVZBRGTPPI-UHFFFAOYSA-N
XLogP1.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 53280013
4-[dimethylsulfamoyl(methyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278389
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 56700074
N-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide
CID 53289335
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278671
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 53279690
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278776
4-acetamido-N-(1-methylpiperidin-4-yl)benzamide
CID 47114509
4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373646
[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]boronic acid
CID 140843225
N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 31098524

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide (CID 50945980) is 4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide is CCN(c1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)CC.
What is the InChIKey of 4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is CEHCKVZBRGTPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-4-20(24(22,23)5-2)16-8-6-14(7-9-16)17(21)18-15-10-12-19(3)13-11-15/h6-9,15H,4-5,10-13H2,1-3H3,(H,18,21).
What are the key properties of 4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide?
4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 353.49 g/mol, XLogP of 1.69, 6 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-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 50945980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).