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

C17H19N3O6S — CID 2952982

IUPACN-(4-methoxy-2-nitrophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H19N3O6S/c1-12-4-7-14(8-5-12)27(24,25)19(2)11-17(21)18-15-9-6-13(26-3)10-16(15)20(22)23/h4-10H,11H2,1-3H3,(H,18,21)
InChIKeyMVTYUNDIMXRHOJ-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.17
Rot. Bonds7

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

N-(4-methoxy-2-nitrophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 2952982) has the molecular formula C17H19N3O6S and a molecular weight of 393.42 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID2952982
Molecular FormulaC17H19N3O6S
Molecular Weight393.42 g/mol
Exact Mass393.10
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H19N3O6S/c1-12-4-7-14(8-5-12)27(24,25)19(2)11-17(21)18-15-9-6-13(26-3)10-16(15)20(22)23/h4-10H,11H2,1-3H3,(H,18,21)
InChIKeyMVTYUNDIMXRHOJ-UHFFFAOYSA-N
XLogP2.17
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-2-nitrophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 2952982) is N-(4-methoxy-2-nitrophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is MVTYUNDIMXRHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6S/c1-12-4-7-14(8-5-12)27(24,25)19(2)11-17(21)18-15-9-6-13(26-3)10-16(15)20(22)23/h4-10H,11H2,1-3H3,(H,18,21).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(4-methoxy-2-nitrophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 393.42 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 2952982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).