3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide

C19H25NO4S2 — CID 9188620

IUPAC3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)Cc2ccc(SC)cc2)cc1OCC
InChIInChI=1S/C19H25NO4S2/c1-5-23-18-12-11-17(13-19(18)24-6-2)26(21,22)20(3)14-15-7-9-16(25-4)10-8-15/h7-13H,5-6,14H2,1-4H3
InChIKeyCAVYKRSIZMEYAU-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.03
Rot. Bonds9

About 3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide

3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide (PubChem CID 9188620) has the molecular formula C19H25NO4S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide
PubChem CID9188620
Molecular FormulaC19H25NO4S2
Molecular Weight395.55 g/mol
Exact Mass395.12
IUPAC Name3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)Cc2ccc(SC)cc2)cc1OCC
InChIInChI=1S/C19H25NO4S2/c1-5-23-18-12-11-17(13-19(18)24-6-2)26(21,22)20(3)14-15-7-9-16(25-4)10-8-15/h7-13H,5-6,14H2,1-4H3
InChIKeyCAVYKRSIZMEYAU-UHFFFAOYSA-N
XLogP4.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237408
4-ethoxy-3-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 78771375
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 31534344
(3S)-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188617
N-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 134028890
N-[(4-bromophenyl)methyl]-4-methoxy-N,3-dimethylbenzenesulfonamide
CID 37497105
N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide
CID 110758081
N-ethyl-2-methoxy-5-[methyl-[(4-methylphenyl)methyl]sulfamoyl]benzamide
CID 92683523
5-tert-butyl-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide
CID 7937871
3-bromo-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 28956911
N-[(4-chlorophenyl)methyl]-4-ethoxy-N-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747649
S-[4-[(3,4-diethoxyphenyl)sulfonylamino]phenyl] N,N-dimethylcarbamothioate
CID 56508235

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide (CID 9188620) is 3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(SC)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide?
The InChIKey is CAVYKRSIZMEYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S2/c1-5-23-18-12-11-17(13-19(18)24-6-2)26(21,22)20(3)14-15-7-9-16(25-4)10-8-15/h7-13H,5-6,14H2,1-4H3.
What are the key properties of 3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide?
3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide has a molecular weight of 395.55 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 9188620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).