N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide

C17H19NO5S — CID 7603183

IUPACN-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C17H19NO5S/c1-4-24(20,21)16-8-6-5-7-13(16)17(19)18-14-10-9-12(22-2)11-15(14)23-3/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyCUAHUCDHZSMFHP-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.75
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide

N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide (PubChem CID 7603183) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide
PubChem CID7603183
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C17H19NO5S/c1-4-24(20,21)16-8-6-5-7-13(16)17(19)18-14-10-9-12(22-2)11-15(14)23-3/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyCUAHUCDHZSMFHP-UHFFFAOYSA-N
XLogP2.75
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide
CID 24684132
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide
CID 71346631
2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide
CID 7578693
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylsulfonylbenzamide
CID 41028434
N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide
CID 33283391
N-(2,4-dimethoxyphenyl)-2-ethoxypyridine-3-carboxamide
CID 2110255
2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 69361719
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
N-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 18104674
2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 103852740

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide (CID 7603183) is N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide?
The InChIKey is CUAHUCDHZSMFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-4-24(20,21)16-8-6-5-7-13(16)17(19)18-14-10-9-12(22-2)11-15(14)23-3/h5-11H,4H2,1-3H3,(H,18,19).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide?
N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide has a molecular weight of 349.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide is sourced from PubChem (CID 7603183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).