3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide

C18H22N2O3S — CID 113141799

IUPAC3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN(c2cccc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-7-9-16(10-8-14)19-18(21)11-12-20(24(3,22)23)17-6-4-5-15(2)13-17/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyWWQQKZIDTGXCEV-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.10
Rot. Bonds6

About 3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide

3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide (PubChem CID 113141799) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
PubChem CID113141799
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN(c2cccc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-7-9-16(10-8-14)19-18(21)11-12-20(24(3,22)23)17-6-4-5-15(2)13-17/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyWWQQKZIDTGXCEV-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815
3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113144621
N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide
CID 113141853
4-(3-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 9173735
N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143169
N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141984
4-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100506301
3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816
N-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide
CID 113141830
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113143812
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 6498959
N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141999

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide (CID 113141799) is 3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCN(c2cccc(C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide?
The InChIKey is WWQQKZIDTGXCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-7-9-16(10-8-14)19-18(21)11-12-20(24(3,22)23)17-6-4-5-15(2)13-17/h4-10,13H,11-12H2,1-3H3,(H,19,21).
What are the key properties of 3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide?
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide has a molecular weight of 346.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 113141799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).