N-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

C24H25N3O7S — CID 4193057

IUPACN-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCCOc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H25N3O7S/c1-4-33-20-11-14-22(23(15-20)27(29)30)25-24(28)16-34-19-9-7-18(8-10-19)26(3)35(31,32)21-12-5-17(2)6-13-21/h5-15H,4,16H2,1-3H3,(H,25,28)
InChIKeyQTLHBMLREKYNBR-UHFFFAOYSA-N
MW499.55 g/mol
LogP4.14
Rot. Bonds10

About N-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

N-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (PubChem CID 4193057) has the molecular formula C24H25N3O7S and a molecular weight of 499.55 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
PubChem CID4193057
Molecular FormulaC24H25N3O7S
Molecular Weight499.55 g/mol
Exact Mass499.14
IUPAC NameN-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCCOc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H25N3O7S/c1-4-33-20-11-14-22(23(15-20)27(29)30)25-24(28)16-34-19-9-7-18(8-10-19)26(3)35(31,32)21-12-5-17(2)6-13-21/h5-15H,4,16H2,1-3H3,(H,25,28)
InChIKeyQTLHBMLREKYNBR-UHFFFAOYSA-N
XLogP4.14
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (CID 4193057) is N-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is CCOc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The InChIKey is QTLHBMLREKYNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O7S/c1-4-33-20-11-14-22(23(15-20)27(29)30)25-24(28)16-34-19-9-7-18(8-10-19)26(3)35(31,32)21-12-5-17(2)6-13-21/h5-15H,4,16H2,1-3H3,(H,25,28).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
N-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide has a molecular weight of 499.55 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 4193057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).