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

C14H18N2O4S2 — CID 112500676

IUPAC2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2csc(C)n2)c(OC)c1
InChIInChI=1S/C14H18N2O4S2/c1-10-16-11(9-21-10)6-7-15-22(17,18)14-5-4-12(19-2)8-13(14)20-3/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyGCPUORNBYKMVMQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.99
Rot. Bonds7

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

2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 112500676) has the molecular formula C14H18N2O4S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID112500676
Molecular FormulaC14H18N2O4S2
Molecular Weight342.44 g/mol
Exact Mass342.07
IUPAC Name2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2csc(C)n2)c(OC)c1
InChIInChI=1S/C14H18N2O4S2/c1-10-16-11(9-21-10)6-7-15-22(17,18)14-5-4-12(19-2)8-13(14)20-3/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyGCPUORNBYKMVMQ-UHFFFAOYSA-N
XLogP1.99
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 110717920
4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 47319452
2,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320320
methyl 5-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoate
CID 75390881
2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide
CID 110398405
2,5-dimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 90572267
2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106049676
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide
CID 18554591
5-amino-2,3-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034183
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 17435586
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
5-amino-2-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034297

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 112500676) is 2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2csc(C)n2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is GCPUORNBYKMVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S2/c1-10-16-11(9-21-10)6-7-15-22(17,18)14-5-4-12(19-2)8-13(14)20-3/h4-5,8-9,15H,6-7H2,1-3H3.
What are the key properties of 2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 342.44 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 112500676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).