N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide

C19H23NO5S — CID 26826251

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide
SMILESCOc1ccc(CCN(C)C(=O)c2cccc(S(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C19H23NO5S/c1-20(11-10-14-8-9-17(24-2)18(12-14)25-3)19(21)15-6-5-7-16(13-15)26(4,22)23/h5-9,12-13H,10-11H2,1-4H3
InChIKeyPQQREUUSLSXRPZ-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.42
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide (PubChem CID 26826251) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide
PubChem CID26826251
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide
SMILESCOc1ccc(CCN(C)C(=O)c2cccc(S(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C19H23NO5S/c1-20(11-10-14-8-9-17(24-2)18(12-14)25-3)19(21)15-6-5-7-16(13-15)26(4,22)23/h5-9,12-13H,10-11H2,1-4H3
InChIKeyPQQREUUSLSXRPZ-UHFFFAOYSA-N
XLogP2.42
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9468496
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 18111551
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26826237
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26826181
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(trifluoromethyl)benzamide
CID 42695653
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide
CID 9468502
N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide
CID 69372704
4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide
CID 38009998
N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 39972148
3-cyano-N-[3-(3,4-dimethoxyphenyl)propyl]-N-methylbenzamide
CID 38713614
N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide
CID 60619049
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide (CID 26826251) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide is COc1ccc(CCN(C)C(=O)c2cccc(S(C)(=O)=O)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide?
The InChIKey is PQQREUUSLSXRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-20(11-10-14-8-9-17(24-2)18(12-14)25-3)19(21)15-6-5-7-16(13-15)26(4,22)23/h5-9,12-13H,10-11H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide has a molecular weight of 377.46 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 26826251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).