4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide

C20H24N2O3S — CID 53287988

IUPAC4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O3S/c1-5-13-21-20(23)18-11-9-17(10-12-18)14-22(26(4,24)25)19-15(2)7-6-8-16(19)3/h5-12H,1,13-14H2,2-4H3,(H,21,23)
InChIKeyXPUKLYOQIPZTPH-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.19
Rot. Bonds7

About 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide

4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide (PubChem CID 53287988) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide
PubChem CID53287988
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O3S/c1-5-13-21-20(23)18-11-9-17(10-12-18)14-22(26(4,24)25)19-15(2)7-6-8-16(19)3/h5-12H,1,13-14H2,2-4H3,(H,21,23)
InChIKeyXPUKLYOQIPZTPH-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 100524131
N-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 100600620
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53287240
4-(methylsulfonylmethyl)-N-prop-2-enylbenzamide
CID 9442194
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide
CID 53288058
N-(3-chloro-4-methylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 100587658
4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113069060
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 125058669
methyl 4-chloro-3-[[4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate
CID 100731085
4-methylsulfonyl-N-prop-2-enylbenzamide
CID 9442193
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191712
4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058483

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide (CID 53287988) is 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide?
The InChIKey is XPUKLYOQIPZTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-5-13-21-20(23)18-11-9-17(10-12-18)14-22(26(4,24)25)19-15(2)7-6-8-16(19)3/h5-12H,1,13-14H2,2-4H3,(H,21,23).
What are the key properties of 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide?
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 53287988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).