N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C26H29N3O4S — CID 135684698

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2O)c(C)c1
InChIInChI=1S/C26H29N3O4S/c1-19-15-20(2)26(21(3)16-19)34(32,33)29(14-13-22-9-5-4-6-10-22)18-25(31)28-27-17-23-11-7-8-12-24(23)30/h4-12,15-17,30H,13-14,18H2,1-3H3,(H,28,31)/b27-17+
InChIKeyOXLUEQTYSDWGFT-WPWMEQJKSA-N
MW479.60 g/mol
LogP3.70
Rot. Bonds9

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

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 135684698) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID135684698
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2O)c(C)c1
InChIInChI=1S/C26H29N3O4S/c1-19-15-20(2)26(21(3)16-19)34(32,33)29(14-13-22-9-5-4-6-10-22)18-25(31)28-27-17-23-11-7-8-12-24(23)30/h4-12,15-17,30H,13-14,18H2,1-3H3,(H,28,31)/b27-17+
InChIKeyOXLUEQTYSDWGFT-WPWMEQJKSA-N
XLogP3.70
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.70
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

N-[(2-methoxyphenyl)methylideneamino]-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 3895757
2-[(Z)-[[2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6154833
N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 989293
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 3525723
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 137126719
N,N-diethyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373099
2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate
CID 2202483
N-[(E)-(2-bromophenyl)methylideneamino]-2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126374062
N-(3-chloro-4-methylphenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371884
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373087
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 3895821
N-(3-ethoxypropyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126372001

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 135684698) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2O)c(C)c1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is OXLUEQTYSDWGFT-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-19-15-20(2)26(21(3)16-19)34(32,33)29(14-13-22-9-5-4-6-10-22)18-25(31)28-27-17-23-11-7-8-12-24(23)30/h4-12,15-17,30H,13-14,18H2,1-3H3,(H,28,31)/b27-17+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 479.60 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 135684698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).