3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide

C19H24N2O4S — CID 113144974

IUPAC3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1N(CCC(=O)Nc1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S/c1-14-6-5-7-16(12-14)20-19(22)10-11-21(26(4,23)24)17-13-15(2)8-9-18(17)25-3/h5-9,12-13H,10-11H2,1-4H3,(H,20,22)
InChIKeyJKEPOJUABVJOLN-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.11
Rot. Bonds7

About 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide

3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide (PubChem CID 113144974) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
PubChem CID113144974
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1N(CCC(=O)Nc1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S/c1-14-6-5-7-16(12-14)20-19(22)10-11-21(26(4,23)24)17-13-15(2)8-9-18(17)25-3/h5-9,12-13H,10-11H2,1-4H3,(H,20,22)
InChIKeyJKEPOJUABVJOLN-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 113144991
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 113144539
3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144822
N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144532
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(3-methylphenyl)acetamide
CID 1266049
3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 113144928
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144145
N-(3,4-dimethoxyphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141982
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
N-(3,4-dichlorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 21372378
3-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144896
N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 2209494

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide (CID 113144974) is 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide is COc1ccc(C)cc1N(CCC(=O)Nc1cccc(C)c1)S(C)(=O)=O.
What is the InChIKey of 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide?
The InChIKey is JKEPOJUABVJOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14-6-5-7-16(12-14)20-19(22)10-11-21(26(4,23)24)17-13-15(2)8-9-18(17)25-3/h5-9,12-13H,10-11H2,1-4H3,(H,20,22).
What are the key properties of 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide?
3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide has a molecular weight of 376.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113144974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).