3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide

C20H26N2O6S — CID 9020974

IUPAC3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide
SMILESCOc1ccc(NC(=O)CCc2cccc(OC)c2OC)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H26N2O6S/c1-22(2)29(24,25)18-13-15(10-11-16(18)26-3)21-19(23)12-9-14-7-6-8-17(27-4)20(14)28-5/h6-8,10-11,13H,9,12H2,1-5H3,(H,21,23)
InChIKeyXAOVNMQKPVNQJZ-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.53
Rot. Bonds9

About 3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide

3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide (PubChem CID 9020974) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide
PubChem CID9020974
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide
SMILESCOc1ccc(NC(=O)CCc2cccc(OC)c2OC)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H26N2O6S/c1-22(2)29(24,25)18-13-15(10-11-16(18)26-3)21-19(23)12-9-14-7-6-8-17(27-4)20(14)28-5/h6-8,10-11,13H,9,12H2,1-5H3,(H,21,23)
InChIKeyXAOVNMQKPVNQJZ-UHFFFAOYSA-N
XLogP2.53
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide
CID 9072555
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-thiophen-3-ylpropanamide
CID 9399939
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 9109103
3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9427530
N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide
CID 9404697
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9106438
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 9106527
3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
CID 55362952
3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)propanamide
CID 9428553
3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 24563112
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide
CID 24658780
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide
CID 100562291

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide (CID 9020974) is 3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide is COc1ccc(NC(=O)CCc2cccc(OC)c2OC)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide?
The InChIKey is XAOVNMQKPVNQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-22(2)29(24,25)18-13-15(10-11-16(18)26-3)21-19(23)12-9-14-7-6-8-17(27-4)20(14)28-5/h6-8,10-11,13H,9,12H2,1-5H3,(H,21,23).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide?
3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide has a molecular weight of 422.50 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide is sourced from PubChem (CID 9020974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).