2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide

C24H25N3O7S — CID 1009787

IUPAC2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C24H25N3O7S/c1-16-8-7-9-17(2)24(16)25-23(28)15-26(19-13-12-18(33-3)14-21(19)34-4)35(31,32)22-11-6-5-10-20(22)27(29)30/h5-14H,15H2,1-4H3,(H,25,28)
InChIKeyCHYBKHJWFKTPLD-UHFFFAOYSA-N
MW499.55 g/mol
LogP4.06
Rot. Bonds9

About 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide

2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide (PubChem CID 1009787) has the molecular formula C24H25N3O7S and a molecular weight of 499.55 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
PubChem CID1009787
Molecular FormulaC24H25N3O7S
Molecular Weight499.55 g/mol
Exact Mass499.14
IUPAC Name2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C24H25N3O7S/c1-16-8-7-9-17(2)24(16)25-23(28)15-26(19-13-12-18(33-3)14-21(19)34-4)35(31,32)22-11-6-5-10-20(22)27(29)30/h5-14H,15H2,1-4H3,(H,25,28)
InChIKeyCHYBKHJWFKTPLD-UHFFFAOYSA-N
XLogP4.06
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 54.06
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 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide (CID 1009787) is 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is CHYBKHJWFKTPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O7S/c1-16-8-7-9-17(2)24(16)25-23(28)15-26(19-13-12-18(33-3)14-21(19)34-4)35(31,32)22-11-6-5-10-20(22)27(29)30/h5-14H,15H2,1-4H3,(H,25,28).
What are the key properties of 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide?
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 499.55 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 1009787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).