3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide

C19H23NO5S — CID 110417830

IUPAC3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C)cc2C)cc1OC
InChIInChI=1S/C19H23NO5S/c1-13-5-7-16(14(2)11-13)20-19(21)9-10-26(22,23)15-6-8-17(24-3)18(12-15)25-4/h5-8,11-12H,9-10H2,1-4H3,(H,20,21)
InChIKeyRPOWBVXKKVTSES-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.12
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide

3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide (PubChem CID 110417830) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide
PubChem CID110417830
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C)cc2C)cc1OC
InChIInChI=1S/C19H23NO5S/c1-13-5-7-16(14(2)11-13)20-19(21)9-10-26(22,23)15-6-8-17(24-3)18(12-15)25-4/h5-8,11-12H,9-10H2,1-4H3,(H,20,21)
InChIKeyRPOWBVXKKVTSES-UHFFFAOYSA-N
XLogP3.12
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418653
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 27042991
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfonylpropanoate
CID 9067784
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethoxyphenyl)propanamide
CID 110422136
N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide
CID 167944439
N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101952
N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298469
N-(2,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 112996411
N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide
CID 110415267
N-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 3360808
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide
CID 998643

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide (CID 110417830) is 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide is COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C)cc2C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is RPOWBVXKKVTSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-13-5-7-16(14(2)11-13)20-19(21)9-10-26(22,23)15-6-8-17(24-3)18(12-15)25-4/h5-8,11-12H,9-10H2,1-4H3,(H,20,21).
What are the key properties of 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide?
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 377.46 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 110417830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).