N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide

C19H24N2O3S — CID 113143166

IUPACN-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1cc(C)c(N(CCC(=O)Nc2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H24N2O3S/c1-14-12-15(2)19(16(3)13-14)21(25(4,23)24)11-10-18(22)20-17-8-6-5-7-9-17/h5-9,12-13H,10-11H2,1-4H3,(H,20,22)
InChIKeyLJXYZXCUNSJOAV-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.41
Rot. Bonds6

About N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide

N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 113143166) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
PubChem CID113143166
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1cc(C)c(N(CCC(=O)Nc2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H24N2O3S/c1-14-12-15(2)19(16(3)13-14)21(25(4,23)24)11-10-18(22)20-17-8-6-5-7-9-17/h5-9,12-13H,10-11H2,1-4H3,(H,20,22)
InChIKeyLJXYZXCUNSJOAV-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143169
N-(3,4-difluorophenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143195
3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide
CID 113143277
N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143155
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113142511
N-(3,4-dimethylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141510
N-(4-phenoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30260344
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113143812
N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143124
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide
CID 113136332

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide (CID 113143166) is N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide is Cc1cc(C)c(N(CCC(=O)Nc2ccccc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is LJXYZXCUNSJOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14-12-15(2)19(16(3)13-14)21(25(4,23)24)11-10-18(22)20-17-8-6-5-7-9-17/h5-9,12-13H,10-11H2,1-4H3,(H,20,22).
What are the key properties of N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 360.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113143166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).