2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide

C19H25N3O5S2 — CID 110518118

IUPAC2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide
SMILESCCOc1cc(/C=N/NS(=O)(=O)c2cccs2)ccc1OCC(=O)N(CC)CC
InChIInChI=1S/C19H25N3O5S2/c1-4-22(5-2)18(23)14-27-16-10-9-15(12-17(16)26-6-3)13-20-21-29(24,25)19-8-7-11-28-19/h7-13,21H,4-6,14H2,1-3H3/b20-13+
InChIKeyDXEOZXDRAYTVPP-DEDYPNTBSA-N
MW439.56 g/mol
LogP2.71
Rot. Bonds11

About 2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide

2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide (PubChem CID 110518118) has the molecular formula C19H25N3O5S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide
PubChem CID110518118
Molecular FormulaC19H25N3O5S2
Molecular Weight439.56 g/mol
Exact Mass439.12
IUPAC Name2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide
SMILESCCOc1cc(/C=N/NS(=O)(=O)c2cccs2)ccc1OCC(=O)N(CC)CC
InChIInChI=1S/C19H25N3O5S2/c1-4-22(5-2)18(23)14-27-16-10-9-15(12-17(16)26-6-3)13-20-21-29(24,25)19-8-7-11-28-19/h7-13,21H,4-6,14H2,1-3H3/b20-13+
InChIKeyDXEOZXDRAYTVPP-DEDYPNTBSA-N
XLogP2.71
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 136873667
2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide
CID 110506196
2-[4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-diethylacetamide
CID 110840203
2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 110512029
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 136873643
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]thiophene-2-sulfonamide
CID 110518228
2-[4-[(E)-[(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-diethylacetamide
CID 136788736
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 136873641
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 5415311
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methoxy-5-methylbenzenesulfonamide
CID 110517954
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 110518275

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide (CID 110518118) is 2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide is CCOc1cc(/C=N/NS(=O)(=O)c2cccs2)ccc1OCC(=O)N(CC)CC.
What is the InChIKey of 2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide?
The InChIKey is DXEOZXDRAYTVPP-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H25N3O5S2/c1-4-22(5-2)18(23)14-27-16-10-9-15(12-17(16)26-6-3)13-20-21-29(24,25)19-8-7-11-28-19/h7-13,21H,4-6,14H2,1-3H3/b20-13+.
What are the key properties of 2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide?
2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide has a molecular weight of 439.56 g/mol, XLogP of 2.71, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 110518118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).