N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide

C19H25NO4S — CID 8801363

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CC)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H25NO4S/c1-5-15-7-10-17(11-8-15)25(21,22)20(6-2)14-16-9-12-18(23-3)19(13-16)24-4/h7-13H,5-6,14H2,1-4H3
InChIKeyBZKROGUQABGKPZ-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.48
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide

N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide (PubChem CID 8801363) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
PubChem CID8801363
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CC)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H25NO4S/c1-5-15-7-10-17(11-8-15)25(21,22)20(6-2)14-16-9-12-18(23-3)19(13-16)24-4/h7-13H,5-6,14H2,1-4H3
InChIKeyBZKROGUQABGKPZ-UHFFFAOYSA-N
XLogP3.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801231
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-methylbenzenesulfonamide
CID 30173555
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide
CID 56561819
N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 3785219
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-fluoro-3-nitrobenzenesulfonamide
CID 8801352
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534310
4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 60594986
5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide
CID 39912911
4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24548544
N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide
CID 30667701
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 8801326

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide (CID 8801363) is N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)N(CC)Cc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide?
The InChIKey is BZKROGUQABGKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-5-15-7-10-17(11-8-15)25(21,22)20(6-2)14-16-9-12-18(23-3)19(13-16)24-4/h7-13H,5-6,14H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide is sourced from PubChem (CID 8801363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).