N-[benzyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]prop-2-en-1-amine

C19H24N2O2S — CID 131923456

IUPACN-[benzyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]prop-2-en-1-amine
SMILESC=CCN(Cc1ccccc1C)S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-4-14-21(16-19-13-9-8-10-17(19)2)24(22,23)20(3)15-18-11-6-5-7-12-18/h4-13H,1,14-16H2,2-3H3
InChIKeyJLIRFNLUEDNHMC-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.36
Rot. Bonds8

About N-[benzyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]prop-2-en-1-amine

N-[benzyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]prop-2-en-1-amine (PubChem CID 131923456) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[benzyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[benzyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]prop-2-en-1-amine
PubChem CID131923456
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[benzyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]prop-2-en-1-amine
SMILESC=CCN(Cc1ccccc1C)S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-4-14-21(16-19-13-9-8-10-17(19)2)24(22,23)20(3)15-18-11-6-5-7-12-18/h4-13H,1,14-16H2,2-3H3
InChIKeyJLIRFNLUEDNHMC-UHFFFAOYSA-N
XLogP3.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylphenyl)methyl-prop-2-enylamino]acetic acid
CID 39243977
2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid
CID 54326605
N-methyl-N-[(2-methylphenyl)methyl]ethenamine
CID 163372519
(E)-4-[(2-methylphenyl)methyl-prop-2-enylamino]-4-oxobut-2-enoic acid
CID 39360082
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]hex-5-en-2-ol
CID 93164977
N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide
CID 112788088
3-[methyl-[methyl-[(2-methylphenyl)methyl]sulfamoyl]amino]propanenitrile
CID 134060157
1-[[benzylsulfamoyl(2-hydroxyethyl)amino]methyl]-2-methylbenzene
CID 56892573
N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine
CID 122203539
N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide
CID 103340514
N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine
CID 148954390

Frequently Asked Questions

What is the IUPAC name of N-[benzyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[benzyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]prop-2-en-1-amine (CID 131923456) is N-[benzyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[benzyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[benzyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]prop-2-en-1-amine is C=CCN(Cc1ccccc1C)S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-[benzyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]prop-2-en-1-amine?
The InChIKey is JLIRFNLUEDNHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-4-14-21(16-19-13-9-8-10-17(19)2)24(22,23)20(3)15-18-11-6-5-7-12-18/h4-13H,1,14-16H2,2-3H3.
What are the key properties of N-[benzyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]prop-2-en-1-amine?
N-[benzyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]prop-2-en-1-amine has a molecular weight of 344.48 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 131923456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).