N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide

C18H20N2O3S — CID 967212

IUPACN-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
SMILESC=CCN(c1ccc(C(=O)Nc2ccccc2C)cc1)S(C)(=O)=O
InChIInChI=1S/C18H20N2O3S/c1-4-13-20(24(3,22)23)16-11-9-15(10-12-16)18(21)19-17-8-6-5-7-14(17)2/h4-12H,1,13H2,2-3H3,(H,19,21)
InChIKeyVKCDXRDOHGVKJX-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.20
Rot. Bonds6

About N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide

N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide (PubChem CID 967212) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
PubChem CID967212
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
SMILESC=CCN(c1ccc(C(=O)Nc2ccccc2C)cc1)S(C)(=O)=O
InChIInChI=1S/C18H20N2O3S/c1-4-13-20(24(3,22)23)16-11-9-15(10-12-16)18(21)19-17-8-6-5-7-14(17)2/h4-12H,1,13H2,2-3H3,(H,19,21)
InChIKeyVKCDXRDOHGVKJX-UHFFFAOYSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.20
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

4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide
CID 2975458
4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide
CID 967226
N-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 5023290
N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 2973027
N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126117559
4-ethenyl-N-(2-methylphenyl)benzamide
CID 12541509
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 133250474
N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 961960
4-[methylsulfonyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)benzamide
CID 100511540
N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide
CID 67807537
4-[methylsulfonyl(prop-2-enyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 30398560
N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2600003

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The IUPAC name of N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide (CID 967212) is N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide.
What is the SMILES notation for N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The canonical SMILES for N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide is C=CCN(c1ccc(C(=O)Nc2ccccc2C)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The InChIKey is VKCDXRDOHGVKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-4-13-20(24(3,22)23)16-11-9-15(10-12-16)18(21)19-17-8-6-5-7-14(17)2/h4-12H,1,13H2,2-3H3,(H,19,21).
What are the key properties of N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide has a molecular weight of 344.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide is sourced from PubChem (CID 967212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).