2,4-dimethyl-N-[3-[methylsulfonyl(prop-2-enyl)amino]phenyl]benzamide

C19H22N2O3S — CID 100533374

IUPAC2,4-dimethyl-N-[3-[methylsulfonyl(prop-2-enyl)amino]phenyl]benzamide
SMILESC=CCN(c1cccc(NC(=O)c2ccc(C)cc2C)c1)S(C)(=O)=O
InChIInChI=1S/C19H22N2O3S/c1-5-11-21(25(4,23)24)17-8-6-7-16(13-17)20-19(22)18-10-9-14(2)12-15(18)3/h5-10,12-13H,1,11H2,2-4H3,(H,20,22)
InChIKeyMJQJLGRGRKUMCR-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.51
Rot. Bonds6

About 2,4-dimethyl-N-[3-[methylsulfonyl(prop-2-enyl)amino]phenyl]benzamide

2,4-dimethyl-N-[3-[methylsulfonyl(prop-2-enyl)amino]phenyl]benzamide (PubChem CID 100533374) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-[methylsulfonyl(prop-2-enyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-[methylsulfonyl(prop-2-enyl)amino]phenyl]benzamide
PubChem CID100533374
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2,4-dimethyl-N-[3-[methylsulfonyl(prop-2-enyl)amino]phenyl]benzamide
SMILESC=CCN(c1cccc(NC(=O)c2ccc(C)cc2C)c1)S(C)(=O)=O
InChIInChI=1S/C19H22N2O3S/c1-5-11-21(25(4,23)24)17-8-6-7-16(13-17)20-19(22)18-10-9-14(2)12-15(18)3/h5-10,12-13H,1,11H2,2-4H3,(H,20,22)
InChIKeyMJQJLGRGRKUMCR-UHFFFAOYSA-N
XLogP3.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640
4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide
CID 967226
2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 100520518
N-[3-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-2,5-dimethylbenzamide
CID 66715420
N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 967212
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 4841035
2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid
CID 65346128
N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1320912
N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2600003
4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
CID 115375733
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 21176284

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-[methylsulfonyl(prop-2-enyl)amino]phenyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[3-[methylsulfonyl(prop-2-enyl)amino]phenyl]benzamide (CID 100533374) is 2,4-dimethyl-N-[3-[methylsulfonyl(prop-2-enyl)amino]phenyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-[methylsulfonyl(prop-2-enyl)amino]phenyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[3-[methylsulfonyl(prop-2-enyl)amino]phenyl]benzamide is C=CCN(c1cccc(NC(=O)c2ccc(C)cc2C)c1)S(C)(=O)=O.
What is the InChIKey of 2,4-dimethyl-N-[3-[methylsulfonyl(prop-2-enyl)amino]phenyl]benzamide?
The InChIKey is MJQJLGRGRKUMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-5-11-21(25(4,23)24)17-8-6-7-16(13-17)20-19(22)18-10-9-14(2)12-15(18)3/h5-10,12-13H,1,11H2,2-4H3,(H,20,22).
What are the key properties of 2,4-dimethyl-N-[3-[methylsulfonyl(prop-2-enyl)amino]phenyl]benzamide?
2,4-dimethyl-N-[3-[methylsulfonyl(prop-2-enyl)amino]phenyl]benzamide has a molecular weight of 358.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-[methylsulfonyl(prop-2-enyl)amino]phenyl]benzamide is sourced from PubChem (CID 100533374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).