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

C19H24N2O3S — CID 113138800

IUPACN-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCc1cccc(NC(=O)CCN(Cc2ccccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S/c1-15-7-6-10-18(13-15)20-19(22)11-12-21(25(3,23)24)14-17-9-5-4-8-16(17)2/h4-10,13H,11-12,14H2,1-3H3,(H,20,22)
InChIKeyBDSQRUQWZMXJTP-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.09
Rot. Bonds7

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

N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide (PubChem CID 113138800) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
PubChem CID113138800
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCc1cccc(NC(=O)CCN(Cc2ccccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S/c1-15-7-6-10-18(13-15)20-19(22)11-12-21(25(3,23)24)14-17-9-5-4-8-16(17)2/h4-10,13H,11-12,14H2,1-3H3,(H,20,22)
InChIKeyBDSQRUQWZMXJTP-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-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138799
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138845
3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide
CID 113136334
N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138741
N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139245
N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139586
N-(4-chlorophenyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138932
N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138717
N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138770
N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139253
N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139844
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144145

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
The IUPAC name of N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide (CID 113138800) is N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide is Cc1cccc(NC(=O)CCN(Cc2ccccc2C)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
The InChIKey is BDSQRUQWZMXJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-7-6-10-18(13-15)20-19(22)11-12-21(25(3,23)24)14-17-9-5-4-8-16(17)2/h4-10,13H,11-12,14H2,1-3H3,(H,20,22).
What are the key properties of N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
N-(3-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-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113138800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).