N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide

C19H23NO3S — CID 26880459

IUPACN-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C19H23NO3S/c1-5-14-8-7-9-15(6-2)18(14)20-19(21)17-12-16(24(4,22)23)11-10-13(17)3/h7-12H,5-6H2,1-4H3,(H,20,21)
InChIKeyUWCBLRMRXZJWJP-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.78
Rot. Bonds5

About N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide

N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide (PubChem CID 26880459) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide
PubChem CID26880459
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C19H23NO3S/c1-5-14-8-7-9-15(6-2)18(14)20-19(21)17-12-16(24(4,22)23)11-10-13(17)3/h7-12H,5-6H2,1-4H3,(H,20,21)
InChIKeyUWCBLRMRXZJWJP-UHFFFAOYSA-N
XLogP3.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 26102414
N-(2,6-diethylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968900
5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide
CID 26086643
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-5-methylsulfonylbenzamide
CID 78779008
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26909371
2-methyl-5-methylsulfonyl-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55899314
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8920403
N-(2-ethyl-6-methylphenyl)-3-methylsulfonyl-5-nitrobenzamide
CID 47076563

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide (CID 26880459) is N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide is CCc1cccc(CC)c1NC(=O)c1cc(S(C)(=O)=O)ccc1C.
What is the InChIKey of N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is UWCBLRMRXZJWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-5-14-8-7-9-15(6-2)18(14)20-19(21)17-12-16(24(4,22)23)11-10-13(17)3/h7-12H,5-6H2,1-4H3,(H,20,21).
What are the key properties of N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide?
N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 345.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 26880459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).