N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide

C19H21NO3S — CID 69431995

IUPACN-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C=CS(=O)(=O)NC(=O)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C19H21NO3S/c1-13-5-7-17(15(3)11-13)9-10-24(22,23)20-19(21)18-8-6-14(2)12-16(18)4/h5-12H,1-4H3,(H,20,21)
InChIKeyXLCQBXGQFNSTRO-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.65
Rot. Bonds4

About N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide

N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide (PubChem CID 69431995) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide
PubChem CID69431995
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C=CS(=O)(=O)NC(=O)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C19H21NO3S/c1-13-5-7-17(15(3)11-13)9-10-24(22,23)20-19(21)18-8-6-14(2)12-16(18)4/h5-12H,1-4H3,(H,20,21)
InChIKeyXLCQBXGQFNSTRO-UHFFFAOYSA-N
XLogP3.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide
CID 15603087
N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide
CID 15603852
N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 69433800
2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide
CID 68978128
(E)-2-(2,4-dimethylphenyl)ethenesulfonic acid
CID 18457020
4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide
CID 69433232
2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 94665510
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
2,4-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 7600084
1-(2-chloroethenyl)-2,4-dimethylbenzene
CID 54480012
N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504906
2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide (CID 69431995) is N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide is Cc1ccc(C=CS(=O)(=O)NC(=O)c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide?
The InChIKey is XLCQBXGQFNSTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-13-5-7-17(15(3)11-13)9-10-24(22,23)20-19(21)18-8-6-14(2)12-16(18)4/h5-12H,1-4H3,(H,20,21).
What are the key properties of N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide?
N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide has a molecular weight of 343.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 69431995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).