3,4-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide

C20H22N2O4S2 — CID 7202338

IUPAC3,4-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2sc(-c3ccccc3)nc2C)cc1OC
InChIInChI=1S/C20H22N2O4S2/c1-14-19(27-20(22-14)15-7-5-4-6-8-15)11-12-21-28(23,24)16-9-10-17(25-2)18(13-16)26-3/h4-10,13,21H,11-12H2,1-3H3
InChIKeyHJAZTNUBZBJVMA-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.66
Rot. Bonds8

About 3,4-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide

3,4-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 7202338) has the molecular formula C20H22N2O4S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID7202338
Molecular FormulaC20H22N2O4S2
Molecular Weight418.54 g/mol
Exact Mass418.10
IUPAC Name3,4-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2sc(-c3ccccc3)nc2C)cc1OC
InChIInChI=1S/C20H22N2O4S2/c1-14-19(27-20(22-14)15-7-5-4-6-8-15)11-12-21-28(23,24)16-9-10-17(25-2)18(13-16)26-3/h4-10,13,21H,11-12H2,1-3H3
InChIKeyHJAZTNUBZBJVMA-UHFFFAOYSA-N
XLogP3.66
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (CID 7202338) is 3,4-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2sc(-c3ccccc3)nc2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is HJAZTNUBZBJVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S2/c1-14-19(27-20(22-14)15-7-5-4-6-8-15)11-12-21-28(23,24)16-9-10-17(25-2)18(13-16)26-3/h4-10,13,21H,11-12H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
3,4-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 418.54 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7202338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).