3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide

C18H21NO5S — CID 9072555

IUPAC3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2cccc(S(C)(=O)=O)c2)c1OC
InChIInChI=1S/C18H21NO5S/c1-23-16-9-4-6-13(18(16)24-2)10-11-17(20)19-14-7-5-8-15(12-14)25(3,21)22/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyQXSKYSNGHOWJPY-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.68
Rot. Bonds7

About 3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide

3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide (PubChem CID 9072555) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide
PubChem CID9072555
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2cccc(S(C)(=O)=O)c2)c1OC
InChIInChI=1S/C18H21NO5S/c1-23-16-9-4-6-13(18(16)24-2)10-11-17(20)19-14-7-5-8-15(12-14)25(3,21)22/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyQXSKYSNGHOWJPY-UHFFFAOYSA-N
XLogP2.68
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylsulfonylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8955982
3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide
CID 9020974
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9427530
N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide
CID 9404697
3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
CID 55362952
N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9413193
4-hydroxy-N-(3-methylsulfonylphenyl)butanamide
CID 79193203
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
N-(3-ethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 7699788
3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 24563112
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide (CID 9072555) is 3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide is COc1cccc(CCC(=O)Nc2cccc(S(C)(=O)=O)c2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide?
The InChIKey is QXSKYSNGHOWJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-23-16-9-4-6-13(18(16)24-2)10-11-17(20)19-14-7-5-8-15(12-14)25(3,21)22/h4-9,12H,10-11H2,1-3H3,(H,19,20).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide?
3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide has a molecular weight of 363.44 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 9072555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).