N-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide

C19H24N2O3S — CID 53287045

IUPACN-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide
SMILESCCN(c1ccc(C(=O)Nc2cccc(C)c2C)cc1)S(=O)(=O)CC
InChIInChI=1S/C19H24N2O3S/c1-5-21(25(23,24)6-2)17-12-10-16(11-13-17)19(22)20-18-9-7-8-14(3)15(18)4/h7-13H,5-6H2,1-4H3,(H,20,22)
InChIKeyCKEFWSNAINQXDN-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.73
Rot. Bonds6

About N-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide

N-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide (PubChem CID 53287045) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide
PubChem CID53287045
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide
SMILESCCN(c1ccc(C(=O)Nc2cccc(C)c2C)cc1)S(=O)(=O)CC
InChIInChI=1S/C19H24N2O3S/c1-5-21(25(23,24)6-2)17-12-10-16(11-13-17)19(22)20-18-9-7-8-14(3)15(18)4/h7-13H,5-6H2,1-4H3,(H,20,22)
InChIKeyCKEFWSNAINQXDN-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 21173367
1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109043741
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-(2,3-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309087
ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3690189
4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 125042751
3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050377
4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770
N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 967212
N-(2,3-dimethylphenyl)-6-(dipropylamino)pyridine-3-carboxamide
CID 109161803
N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
CID 1219709

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide (CID 53287045) is N-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide is CCN(c1ccc(C(=O)Nc2cccc(C)c2C)cc1)S(=O)(=O)CC.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide?
The InChIKey is CKEFWSNAINQXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-5-21(25(23,24)6-2)17-12-10-16(11-13-17)19(22)20-18-9-7-8-14(3)15(18)4/h7-13H,5-6H2,1-4H3,(H,20,22).
What are the key properties of N-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide?
N-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-[ethyl(ethylsulfonyl)amino]benzamide is sourced from PubChem (CID 53287045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).