N-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide

C18H22N2O3S — CID 8991375

IUPACN-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-24(22,23)20(3)17-12-10-16(11-13-17)18(21)19(2)14-15-8-6-5-7-9-15/h5-13H,4,14H2,1-3H3
InChIKeyPFUBAPFGSWTTAR-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.74
Rot. Bonds6

About N-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide

N-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide (PubChem CID 8991375) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide
PubChem CID8991375
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-24(22,23)20(3)17-12-10-16(11-13-17)18(21)19(2)14-15-8-6-5-7-9-15/h5-13H,4,14H2,1-3H3
InChIKeyPFUBAPFGSWTTAR-UHFFFAOYSA-N
XLogP2.74
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide
CID 3472525
N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 1312535
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide
CID 110342924
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047140
N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27665708
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 26665113

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide?
The IUPAC name of N-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide (CID 8991375) is N-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide?
The canonical SMILES for N-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide is CCS(=O)(=O)N(C)c1ccc(C(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide?
The InChIKey is PFUBAPFGSWTTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-24(22,23)20(3)17-12-10-16(11-13-17)18(21)19(2)14-15-8-6-5-7-9-15/h5-13H,4,14H2,1-3H3.
What are the key properties of N-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide?
N-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide has a molecular weight of 346.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[ethylsulfonyl(methyl)amino]-N-methylbenzamide is sourced from PubChem (CID 8991375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).