2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide

C25H27N3O3S2 — CID 6876899

IUPAC2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide
SMILESCCc1ccccc1N(CC(=O)N/N=C/c1ccc(SC)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H27N3O3S2/c1-4-21-7-5-6-8-24(21)28(33(30,31)23-15-9-19(2)10-16-23)18-25(29)27-26-17-20-11-13-22(32-3)14-12-20/h5-17H,4,18H2,1-3H3,(H,27,29)/b26-17+
InChIKeyLEWWKCUMXXFBPL-YZSQISJMSA-N
MW481.64 g/mol
LogP4.62
Rot. Bonds9

About 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide

2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide (PubChem CID 6876899) has the molecular formula C25H27N3O3S2 and a molecular weight of 481.64 g/mol. Its IUPAC name is 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide
PubChem CID6876899
Molecular FormulaC25H27N3O3S2
Molecular Weight481.64 g/mol
Exact Mass481.15
IUPAC Name2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide
SMILESCCc1ccccc1N(CC(=O)N/N=C/c1ccc(SC)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H27N3O3S2/c1-4-21-7-5-6-8-24(21)28(33(30,31)23-15-9-19(2)10-16-23)18-25(29)27-26-17-20-11-13-22(32-3)14-12-20/h5-17H,4,18H2,1-3H3,(H,27,29)/b26-17+
InChIKeyLEWWKCUMXXFBPL-YZSQISJMSA-N
XLogP4.62
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 94838054
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 27046659
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 126191438
[4-[(Z)-[[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 28588816
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 92686425
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 136783054
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 135614244
2-(4-methyl-N-methylsulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 6876872
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 92661254
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 94838403
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6022806
N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28589804

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide (CID 6876899) is 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide is CCc1ccccc1N(CC(=O)N/N=C/c1ccc(SC)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide?
The InChIKey is LEWWKCUMXXFBPL-YZSQISJMSA-N. The full InChI is InChI=1S/C25H27N3O3S2/c1-4-21-7-5-6-8-24(21)28(33(30,31)23-15-9-19(2)10-16-23)18-25(29)27-26-17-20-11-13-22(32-3)14-12-20/h5-17H,4,18H2,1-3H3,(H,27,29)/b26-17+.
What are the key properties of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide?
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide has a molecular weight of 481.64 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6876899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).