N-[(4-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C26H29N3O4S — CID 4004849

IUPACN-[(4-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(CN(CC(=O)NN=Cc2ccc(O)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C26H29N3O4S/c1-18-5-7-23(8-6-18)16-29(34(32,33)26-20(3)13-19(2)14-21(26)4)17-25(31)28-27-15-22-9-11-24(30)12-10-22/h5-15,30H,16-17H2,1-4H3,(H,28,31)
InChIKeyFHIHXUHBEISUGT-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.97
Rot. Bonds8

About N-[(4-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-[(4-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 4004849) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID4004849
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC NameN-[(4-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(CN(CC(=O)NN=Cc2ccc(O)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C26H29N3O4S/c1-18-5-7-23(8-6-18)16-29(34(32,33)26-20(3)13-19(2)14-21(26)4)17-25(31)28-27-15-22-9-11-24(30)12-10-22/h5-15,30H,16-17H2,1-4H3,(H,28,31)
InChIKeyFHIHXUHBEISUGT-UHFFFAOYSA-N
XLogP3.97
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(4-methylphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 4211690
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 137126719
2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 124545753
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126372670
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 137168132
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126373806
4-[(E)-[[2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 126372612
N-[(Z)-(4-ethylphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126120041
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 137168301
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 126155696
2-[(Z)-[[2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6154833
N-[(E)-(2-bromophenyl)methylideneamino]-2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126374062

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 4004849) is N-[(4-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1ccc(CN(CC(=O)NN=Cc2ccc(O)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is FHIHXUHBEISUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-18-5-7-23(8-6-18)16-29(34(32,33)26-20(3)13-19(2)14-21(26)4)17-25(31)28-27-15-22-9-11-24(30)12-10-22/h5-15,30H,16-17H2,1-4H3,(H,28,31).
What are the key properties of N-[(4-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-[(4-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 479.60 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 4004849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).