N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide

C19H24N2O3S — CID 43905083

IUPACN-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCc1ccc(CN(C)C(=O)C(C)N(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-15-10-12-17(13-11-15)14-20(3)19(22)16(2)21(25(4,23)24)18-8-6-5-7-9-18/h5-13,16H,14H2,1-4H3
InChIKeyMPVURQASTHQRIY-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.81
Rot. Bonds6

About N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide

N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide (PubChem CID 43905083) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
PubChem CID43905083
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCc1ccc(CN(C)C(=O)C(C)N(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-15-10-12-17(13-11-15)14-20(3)19(22)16(2)21(25(4,23)24)18-8-6-5-7-9-18/h5-13,16H,14H2,1-4H3
InChIKeyMPVURQASTHQRIY-UHFFFAOYSA-N
XLogP2.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
CID 30388969
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 28576351
(2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 1322663
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide
CID 132668373
2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 46771727
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide
CID 43886338
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 43917021
(2R)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 7297206
N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 132659087
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 28634282
N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 5105119
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 125042380

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide (CID 43905083) is N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide is Cc1ccc(CN(C)C(=O)C(C)N(c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is MPVURQASTHQRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-10-12-17(13-11-15)14-20(3)19(22)16(2)21(25(4,23)24)18-8-6-5-7-9-18/h5-13,16H,14H2,1-4H3.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide?
N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 360.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 43905083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).