3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide

C19H23NO5S — CID 42021780

IUPAC3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H23NO5S/c1-4-26(22,23)16-9-7-15(8-10-16)20-19(21)12-6-14-5-11-17(24-2)18(13-14)25-3/h5,7-11,13H,4,6,12H2,1-3H3,(H,20,21)
InChIKeyRZDKZOCAUFRTRC-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.07
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide

3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide (PubChem CID 42021780) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide
PubChem CID42021780
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H23NO5S/c1-4-26(22,23)16-9-7-15(8-10-16)20-19(21)12-6-14-5-11-17(24-2)18(13-14)25-3/h5,7-11,13H,4,6,12H2,1-3H3,(H,20,21)
InChIKeyRZDKZOCAUFRTRC-UHFFFAOYSA-N
XLogP3.07
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]benzenesulfonic acid
CID 4143684
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110423899
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649
4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide
CID 44516409
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide
CID 19221776
N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 2095031
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
N-[4-(dimethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221846
N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28580588

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide (CID 42021780) is 3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide is CCS(=O)(=O)c1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide?
The InChIKey is RZDKZOCAUFRTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-4-26(22,23)16-9-7-15(8-10-16)20-19(21)12-6-14-5-11-17(24-2)18(13-14)25-3/h5,7-11,13H,4,6,12H2,1-3H3,(H,20,21).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide has a molecular weight of 377.46 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide is sourced from PubChem (CID 42021780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).