2-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-N,4,5-trimethylbenzenesulfonamide

C20H27NO5S — CID 171387477

IUPAC2-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-N,4,5-trimethylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1cc(C)c(C)cc1-c1cccc(OC)c1OC
InChIInChI=1S/C20H27NO5S/c1-14-12-17(16-8-7-9-18(25-5)20(16)26-6)19(13-15(14)2)27(22,23)21(3)10-11-24-4/h7-9,12-13H,10-11H2,1-6H3
InChIKeySIUIFSQQALBPNF-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.25
Rot. Bonds8

About 2-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-N,4,5-trimethylbenzenesulfonamide

2-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-N,4,5-trimethylbenzenesulfonamide (PubChem CID 171387477) has the molecular formula C20H27NO5S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-N,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-N,4,5-trimethylbenzenesulfonamide
PubChem CID171387477
Molecular FormulaC20H27NO5S
Molecular Weight393.51 g/mol
Exact Mass393.16
IUPAC Name2-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-N,4,5-trimethylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1cc(C)c(C)cc1-c1cccc(OC)c1OC
InChIInChI=1S/C20H27NO5S/c1-14-12-17(16-8-7-9-18(25-5)20(16)26-6)19(13-15(14)2)27(22,23)21(3)10-11-24-4/h7-9,12-13H,10-11H2,1-6H3
InChIKeySIUIFSQQALBPNF-UHFFFAOYSA-N
XLogP3.25
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-N,4,5-trimethylbenzenesulfonamide?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-N,4,5-trimethylbenzenesulfonamide (CID 171387477) is 2-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-N,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-N,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-N,4,5-trimethylbenzenesulfonamide is COCCN(C)S(=O)(=O)c1cc(C)c(C)cc1-c1cccc(OC)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-N,4,5-trimethylbenzenesulfonamide?
The InChIKey is SIUIFSQQALBPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5S/c1-14-12-17(16-8-7-9-18(25-5)20(16)26-6)19(13-15(14)2)27(22,23)21(3)10-11-24-4/h7-9,12-13H,10-11H2,1-6H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-N,4,5-trimethylbenzenesulfonamide?
2-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-N,4,5-trimethylbenzenesulfonamide has a molecular weight of 393.51 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-N,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 171387477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).