N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

C22H23N3O4S — CID 6877077

IUPACN-[(E)-furan-2-ylmethylideneamino]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(CN(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-17-5-9-19(10-6-17)15-25(30(27,28)21-11-7-18(2)8-12-21)16-22(26)24-23-14-20-4-3-13-29-20/h3-14H,15-16H2,1-2H3,(H,24,26)/b23-14+
InChIKeyRZJNALFFKQFREG-OEAKJJBVSA-N
MW425.51 g/mol
LogP3.24
Rot. Bonds8

About N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 6877077) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID6877077
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(CN(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-17-5-9-19(10-6-17)15-25(30(27,28)21-11-7-18(2)8-12-21)16-22(26)24-23-14-20-4-3-13-29-20/h3-14H,15-16H2,1-2H3,(H,24,26)/b23-14+
InChIKeyRZJNALFFKQFREG-OEAKJJBVSA-N
XLogP3.24
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 6877077) is N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(CN(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is RZJNALFFKQFREG-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-17-5-9-19(10-6-17)15-25(30(27,28)21-11-7-18(2)8-12-21)16-22(26)24-23-14-20-4-3-13-29-20/h3-14H,15-16H2,1-2H3,(H,24,26)/b23-14+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 425.51 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 6877077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).