4-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide

C24H31N3O4S2 — CID 18813011

IUPAC4-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)n2CCOC)cc1
InChIInChI=1S/C24H31N3O4S2/c1-5-26(6-2)33(28,29)22-14-8-19(9-15-22)23-18-32-24(27(23)16-17-30-4)25-20-10-12-21(13-11-20)31-7-3/h8-15,18H,5-7,16-17H2,1-4H3/b25-24-
InChIKeyXEZNHXXBAIQKDL-IZHYLOQSSA-N
MW489.66 g/mol
LogP4.52
Rot. Bonds11

About 4-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide

4-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide (PubChem CID 18813011) has the molecular formula C24H31N3O4S2 and a molecular weight of 489.66 g/mol. Its IUPAC name is 4-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
PubChem CID18813011
Molecular FormulaC24H31N3O4S2
Molecular Weight489.66 g/mol
Exact Mass489.18
IUPAC Name4-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)n2CCOC)cc1
InChIInChI=1S/C24H31N3O4S2/c1-5-26(6-2)33(28,29)22-14-8-19(9-15-22)23-18-32-24(27(23)16-17-30-4)25-20-10-12-21(13-11-20)31-7-3/h8-15,18H,5-7,16-17H2,1-4H3/b25-24-
InChIKeyXEZNHXXBAIQKDL-IZHYLOQSSA-N
XLogP4.52
TPSA73.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-ethoxyphenyl)imino-3-hexyl-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 18812946
4-[2-(4-ethoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 18813069
4-[3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 18813000
N-(4-ethoxyphenyl)-3-(2-methoxyethyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18813008
N,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 5245125
N,N-diethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 3980869
N,N-diethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide;hydrobromide
CID 90484804
4-[2-(4-methoxyphenyl)imino-3-pentyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 18812706
4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methoxyethyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 18812782
2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 138392628
N-(4-ethoxyphenyl)-3-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine;hydrobromide
CID 146050869
2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol
CID 51370288

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide (CID 18813011) is 4-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide is CCOc1ccc(/N=c2\scc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)n2CCOC)cc1.
What is the InChIKey of 4-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide?
The InChIKey is XEZNHXXBAIQKDL-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H31N3O4S2/c1-5-26(6-2)33(28,29)22-14-8-19(9-15-22)23-18-32-24(27(23)16-17-30-4)25-20-10-12-21(13-11-20)31-7-3/h8-15,18H,5-7,16-17H2,1-4H3/b25-24-.
What are the key properties of 4-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide?
4-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide has a molecular weight of 489.66 g/mol, XLogP of 4.52, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 18813011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).