2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide

C19H25NO6S — CID 113095698

IUPAC2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H25NO6S/c1-13-6-7-15(23-2)18(10-13)27(21,22)20-9-8-14-11-16(24-3)19(26-5)17(12-14)25-4/h6-7,10-12,20H,8-9H2,1-5H3
InChIKeyZDCTYJNUBYQUHI-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.55
Rot. Bonds9

About 2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide

2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 113095698) has the molecular formula C19H25NO6S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
PubChem CID113095698
Molecular FormulaC19H25NO6S
Molecular Weight395.48 g/mol
Exact Mass395.14
IUPAC Name2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H25NO6S/c1-13-6-7-15(23-2)18(10-13)27(21,22)20-9-8-14-11-16(24-3)19(26-5)17(12-14)25-4/h6-7,10-12,20H,8-9H2,1-5H3
InChIKeyZDCTYJNUBYQUHI-UHFFFAOYSA-N
XLogP2.55
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzenesulfonamide
CID 113096499
4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
CID 113095695
2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 9190953
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
N-but-3-ynyl-2-methoxy-5-methylbenzenesulfonamide
CID 90537993
N-(3-aminobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 55169894
N-(3-hydroxybutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 64913326
diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium
CID 8511849
1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene
CID 71658869
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113102100
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113085626
2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide (CID 113095698) is 2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is ZDCTYJNUBYQUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6S/c1-13-6-7-15(23-2)18(10-13)27(21,22)20-9-8-14-11-16(24-3)19(26-5)17(12-14)25-4/h6-7,10-12,20H,8-9H2,1-5H3.
What are the key properties of 2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 395.48 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 113095698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).