N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

C20H22N2O5S2 — CID 53117941

IUPACN-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C20H22N2O5S2/c1-5-27-18-9-6-14(17-12-28-13(2)21-17)10-20(18)29(23,24)22-16-8-7-15(25-3)11-19(16)26-4/h6-12,22H,5H2,1-4H3
InChIKeyHSCORGNFEKJREY-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.34
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 53117941) has the molecular formula C20H22N2O5S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID53117941
Molecular FormulaC20H22N2O5S2
Molecular Weight434.54 g/mol
Exact Mass434.10
IUPAC NameN-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C20H22N2O5S2/c1-5-27-18-9-6-14(17-12-28-13(2)21-17)10-20(18)29(23,24)22-16-8-7-15(25-3)11-19(16)26-4/h6-12,22H,5H2,1-4H3
InChIKeyHSCORGNFEKJREY-UHFFFAOYSA-N
XLogP4.34
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 53117968
N-(2-chloro-4-methylphenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036320
N-cyclopentyl-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117946
N-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117943
N-butan-2-yl-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036300
2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 53011342
N-(2-chloro-4,6-dimethoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
CID 53117901
2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 8841457
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 116967837
N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974307
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974263
2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 53036322

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (CID 53117941) is N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is HSCORGNFEKJREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S2/c1-5-27-18-9-6-14(17-12-28-13(2)21-17)10-20(18)29(23,24)22-16-8-7-15(25-3)11-19(16)26-4/h6-12,22H,5H2,1-4H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 434.54 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 53117941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).