2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

C24H24N4O5S — CID 136742007

IUPAC2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H24N4O5S/c1-18(29)26-21-9-13-23(14-10-21)34(32,33)28(16-20-5-3-2-4-6-20)17-24(31)27-25-15-19-7-11-22(30)12-8-19/h2-15,30H,16-17H2,1H3,(H,26,29)(H,27,31)/b25-15+
InChIKeySDJZCUGDEIMZGA-MFKUBSTISA-N
MW480.55 g/mol
LogP2.69
Rot. Bonds9

About 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 136742007) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID136742007
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H24N4O5S/c1-18(29)26-21-9-13-23(14-10-21)34(32,33)28(16-20-5-3-2-4-6-20)17-24(31)27-25-15-19-7-11-22(30)12-8-19/h2-15,30H,16-17H2,1H3,(H,26,29)(H,27,31)/b25-15+
InChIKeySDJZCUGDEIMZGA-MFKUBSTISA-N
XLogP2.69
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide
CID 6086929
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(2,3-dichlorophenyl)methylideneamino]acetamide
CID 3682983
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 137126719
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136764592
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 126005686
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
CID 98106971
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 3136727
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126002407
methyl 4-[(Z)-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoate
CID 94847124
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126004083
N-[(Z)-benzylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126073699
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 98105346

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (CID 136742007) is 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)cc2)Cc2ccccc2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is SDJZCUGDEIMZGA-MFKUBSTISA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-18(29)26-21-9-13-23(14-10-21)34(32,33)28(16-20-5-3-2-4-6-20)17-24(31)27-25-15-19-7-11-22(30)12-8-19/h2-15,30H,16-17H2,1H3,(H,26,29)(H,27,31)/b25-15+.
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 480.55 g/mol, XLogP of 2.69, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136742007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).