4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide

C18H22N2O3S — CID 21368424

IUPAC4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-24(22,23)20(3)17-11-9-16(10-12-17)18(21)19-13-15-7-5-14(2)6-8-15/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyWJYLRGCAAINLHZ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.71
Rot. Bonds6

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

4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 21368424) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID21368424
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-24(22,23)20(3)17-11-9-16(10-12-17)18(21)19-13-15-7-5-14(2)6-8-15/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyWJYLRGCAAINLHZ-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 53280666
4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 17200575
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
4-[ethylsulfonyl(methyl)amino]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56699116
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55615012
4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 100785424
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 900511

Frequently Asked Questions

What is the IUPAC name of 4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide (CID 21368424) is 4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide is CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is WJYLRGCAAINLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-24(22,23)20(3)17-11-9-16(10-12-17)18(21)19-13-15-7-5-14(2)6-8-15/h5-12H,4,13H2,1-3H3,(H,19,21).
What are the key properties of 4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide?
4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 21368424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).