N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide

C19H25NO6S — CID 40690968

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H25NO6S/c1-20(11-10-14-6-8-16(23-2)18(12-14)25-4)27(21,22)15-7-9-17(24-3)19(13-15)26-5/h6-9,12-13H,10-11H2,1-5H3
InChIKeyCDLHZINCLRVMGE-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.58
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide (PubChem CID 40690968) has the molecular formula C19H25NO6S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
PubChem CID40690968
Molecular FormulaC19H25NO6S
Molecular Weight395.48 g/mol
Exact Mass395.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H25NO6S/c1-20(11-10-14-6-8-16(23-2)18(12-14)25-4)27(21,22)15-7-9-17(24-3)19(13-15)26-5/h6-9,12-13H,10-11H2,1-5H3
InChIKeyCDLHZINCLRVMGE-UHFFFAOYSA-N
XLogP2.58
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide (CID 40690968) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide is COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide?
The InChIKey is CDLHZINCLRVMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6S/c1-20(11-10-14-6-8-16(23-2)18(12-14)25-4)27(21,22)15-7-9-17(24-3)19(13-15)26-5/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide has a molecular weight of 395.48 g/mol, XLogP of 2.58, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 40690968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).