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

C19H25NO4S — CID 55353251

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2cccc(C)c2)cc1OCC
InChIInChI=1S/C19H25NO4S/c1-4-23-18-10-9-16(14-19(18)24-5-2)11-12-20-25(21,22)17-8-6-7-15(3)13-17/h6-10,13-14,20H,4-5,11-12H2,1-3H3
InChIKeyFYOIBNRNOPAIOJ-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.31
Rot. Bonds9

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

N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide (PubChem CID 55353251) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide
PubChem CID55353251
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2cccc(C)c2)cc1OCC
InChIInChI=1S/C19H25NO4S/c1-4-23-18-10-9-16(14-19(18)24-5-2)11-12-20-25(21,22)17-8-6-7-15(3)13-17/h6-10,13-14,20H,4-5,11-12H2,1-3H3
InChIKeyFYOIBNRNOPAIOJ-UHFFFAOYSA-N
XLogP3.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 30788428
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 3687846
N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 22206204
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide
CID 6737244
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55337425
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 110788857
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3699992
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide
CID 55905205
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 49460269
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3482971
ethyl 3-[(3-methylphenyl)sulfonylamino]propanoate
CID 60643076

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide (CID 55353251) is N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide is CCOc1ccc(CCNS(=O)(=O)c2cccc(C)c2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide?
The InChIKey is FYOIBNRNOPAIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-4-23-18-10-9-16(14-19(18)24-5-2)11-12-20-25(21,22)17-8-6-7-15(3)13-17/h6-10,13-14,20H,4-5,11-12H2,1-3H3.
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 55353251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).