3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide

C19H24N2O4S — CID 113142426

IUPAC3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-14-11-15(2)13-17(12-14)21(26(4,23)24)10-9-19(22)20-16-5-7-18(25-3)8-6-16/h5-8,11-13H,9-10H2,1-4H3,(H,20,22)
InChIKeyBMUNQMUKPYANIE-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.11
Rot. Bonds7

About 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide

3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide (PubChem CID 113142426) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
PubChem CID113142426
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-14-11-15(2)13-17(12-14)21(26(4,23)24)10-9-19(22)20-16-5-7-18(25-3)8-6-16/h5-8,11-13H,9-10H2,1-4H3,(H,20,22)
InChIKeyBMUNQMUKPYANIE-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

3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113144621
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113143839
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
N-(3,4-dimethoxyphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141982
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113142405
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 51343121
N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143169
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977
N-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 53286923
methyl 4-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 113153979
N-(4-chlorophenyl)-3-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 113144991
N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141999

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide (CID 113142426) is 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide?
The InChIKey is BMUNQMUKPYANIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14-11-15(2)13-17(12-14)21(26(4,23)24)10-9-19(22)20-16-5-7-18(25-3)8-6-16/h5-8,11-13H,9-10H2,1-4H3,(H,20,22).
What are the key properties of 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide?
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)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-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 113142426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).