4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide

C17H21N3O4S2 — CID 6106562

IUPAC4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C/c2ccc(N3CCOCC3)s2)cc1
InChIInChI=1S/C17H21N3O4S2/c1-2-24-14-3-6-16(7-4-14)26(21,22)19-18-13-15-5-8-17(25-15)20-9-11-23-12-10-20/h3-8,13,19H,2,9-12H2,1H3/b18-13+
InChIKeyDLYYWJVKXZKGCR-QGOAFFKASA-N
MW395.51 g/mol
LogP2.30
Rot. Bonds7

About 4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide

4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide (PubChem CID 6106562) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide
PubChem CID6106562
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Name4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C/c2ccc(N3CCOCC3)s2)cc1
InChIInChI=1S/C17H21N3O4S2/c1-2-24-14-3-6-16(7-4-14)26(21,22)19-18-13-15-5-8-17(25-15)20-9-11-23-12-10-20/h3-8,13,19H,2,9-12H2,1H3/b18-13+
InChIKeyDLYYWJVKXZKGCR-QGOAFFKASA-N
XLogP2.30
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.30
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-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide
CID 9078212
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 6910172
N-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide
CID 4208152
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
4-ethoxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 135614386
4-ethoxy-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516725
4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 9078234
4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide
CID 6904054
4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966800
N-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 137070426

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide (CID 6106562) is 4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N/N=C/c2ccc(N3CCOCC3)s2)cc1.
What is the InChIKey of 4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide?
The InChIKey is DLYYWJVKXZKGCR-QGOAFFKASA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-2-24-14-3-6-16(7-4-14)26(21,22)19-18-13-15-5-8-17(25-15)20-9-11-23-12-10-20/h3-8,13,19H,2,9-12H2,1H3/b18-13+.
What are the key properties of 4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide?
4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide has a molecular weight of 395.51 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 6106562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).