3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide

C19H24N2O4S — CID 113144822

IUPAC3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
SMILESCCOc1ccccc1N(CCC(=O)Nc1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S/c1-4-25-18-11-6-5-10-17(18)21(26(3,23)24)13-12-19(22)20-16-9-7-8-15(2)14-16/h5-11,14H,4,12-13H2,1-3H3,(H,20,22)
InChIKeyIJJDBBYFMYDJCL-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.19
Rot. Bonds8

About 3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide

3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide (PubChem CID 113144822) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
PubChem CID113144822
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
SMILESCCOc1ccccc1N(CCC(=O)Nc1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S/c1-4-25-18-11-6-5-10-17(18)21(26(3,23)24)13-12-19(22)20-16-9-7-8-15(2)14-16/h5-11,14H,4,12-13H2,1-3H3,(H,20,22)
InChIKeyIJJDBBYFMYDJCL-UHFFFAOYSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144836
3-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144896
3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144974
N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144847
N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 1098136
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 113144539
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144145
N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144844
N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144532
N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144781
N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287797
3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113144790

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide (CID 113144822) is 3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide is CCOc1ccccc1N(CCC(=O)Nc1cccc(C)c1)S(C)(=O)=O.
What is the InChIKey of 3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide?
The InChIKey is IJJDBBYFMYDJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-25-18-11-6-5-10-17(18)21(26(3,23)24)13-12-19(22)20-16-9-7-8-15(2)14-16/h5-11,14H,4,12-13H2,1-3H3,(H,20,22).
What are the key properties of 3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide?
3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide has a molecular weight of 376.48 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113144822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).