2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide

C24H25N3O4S — CID 5015345

IUPAC2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1ccccc1O
InChIInChI=1S/C24H25N3O4S/c1-17-10-9-14-22(18(17)2)27(32(30,31)20-11-5-4-6-12-20)16-24(29)26-25-19(3)21-13-7-8-15-23(21)28/h4-15,28H,16H2,1-3H3,(H,26,29)
InChIKeyLRWYEADPFAQYSY-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.74
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 5015345) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID5015345
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1ccccc1O
InChIInChI=1S/C24H25N3O4S/c1-17-10-9-14-22(18(17)2)27(32(30,31)20-11-5-4-6-12-20)16-24(29)26-25-19(3)21-13-7-8-15-23(21)28/h4-15,28H,16H2,1-3H3,(H,26,29)
InChIKeyLRWYEADPFAQYSY-UHFFFAOYSA-N
XLogP3.74
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3943441
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126033241
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dimethylphenyl)acetamide
CID 1311343
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-methylphenyl)acetamide
CID 1334553
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 137044533
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564325
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide
CID 2271697
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 137107847
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 28589215
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 126138604
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 27088718
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92672852

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide (CID 5015345) is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide is CC(=NNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is LRWYEADPFAQYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-17-10-9-14-22(18(17)2)27(32(30,31)20-11-5-4-6-12-20)16-24(29)26-25-19(3)21-13-7-8-15-23(21)28/h4-15,28H,16H2,1-3H3,(H,26,29).
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide?
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 451.55 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 5015345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).