N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide

C19H24N2O3S — CID 113138799

IUPACN-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCc1ccccc1CN(CCC(=O)Nc1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-15-8-4-6-10-17(15)14-21(25(3,23)24)13-12-19(22)20-18-11-7-5-9-16(18)2/h4-11H,12-14H2,1-3H3,(H,20,22)
InChIKeyJPROJOUPLRIVSW-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.09
Rot. Bonds7

About N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide

N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide (PubChem CID 113138799) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
PubChem CID113138799
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCc1ccccc1CN(CCC(=O)Nc1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-15-8-4-6-10-17(15)14-21(25(3,23)24)13-12-19(22)20-18-11-7-5-9-16(18)2/h4-11H,12-14H2,1-3H3,(H,20,22)
InChIKeyJPROJOUPLRIVSW-UHFFFAOYSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138800
3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methylphenyl)propanamide
CID 113141163
N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138741
N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139245
N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138770
3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113143230
N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139586
N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139253
N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139129
N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150616
N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138283
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
The IUPAC name of N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide (CID 113138799) is N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide is Cc1ccccc1CN(CCC(=O)Nc1ccccc1C)S(C)(=O)=O.
What is the InChIKey of N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
The InChIKey is JPROJOUPLRIVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-8-4-6-10-17(15)14-21(25(3,23)24)13-12-19(22)20-18-11-7-5-9-16(18)2/h4-11H,12-14H2,1-3H3,(H,20,22).
What are the key properties of N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide has a molecular weight of 360.48 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113138799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).