N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide

C17H19N3O6S — CID 1290835

IUPACN-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
SMILESCCOc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19N3O6S/c1-3-26-16-9-7-13(8-10-16)18-17(21)12-19(27(2,24)25)14-5-4-6-15(11-14)20(22)23/h4-11H,3,12H2,1-2H3,(H,18,21)
InChIKeyOJBCJKDSZPAJPH-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.40
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide

N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide (PubChem CID 1290835) has the molecular formula C17H19N3O6S and a molecular weight of 393.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
PubChem CID1290835
Molecular FormulaC17H19N3O6S
Molecular Weight393.42 g/mol
Exact Mass393.10
IUPAC NameN-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
SMILESCCOc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19N3O6S/c1-3-26-16-9-7-13(8-10-16)18-17(21)12-19(27(2,24)25)14-5-4-6-15(11-14)20(22)23/h4-11H,3,12H2,1-2H3,(H,18,21)
InChIKeyOJBCJKDSZPAJPH-UHFFFAOYSA-N
XLogP2.40
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.40
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'}

Analyze N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 1317768
N-(3-methoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 126032440
N-(3,5-dimethylphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 126035156
N-(3,4-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 126274559
2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 30270152
methyl 2-chloro-5-[[2-(N-methylsulfonyl-3-nitroanilino)acetyl]amino]benzoate
CID 2209943
2-(N-methylsulfonyl-3-nitroanilino)-N-pyridin-3-ylacetamide
CID 1309445
2-(3-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 30262151
2-(3-methyl-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide
CID 1311836
2-(N-methylsulfonyl-3-nitroanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 28564287
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 51343121
N-[2-(4-methylphenoxy)ethyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 30230420

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide (CID 1290835) is N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide is CCOc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide?
The InChIKey is OJBCJKDSZPAJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6S/c1-3-26-16-9-7-13(8-10-16)18-17(21)12-19(27(2,24)25)14-5-4-6-15(11-14)20(22)23/h4-11H,3,12H2,1-2H3,(H,18,21).
What are the key properties of N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide?
N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide has a molecular weight of 393.42 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide is sourced from PubChem (CID 1290835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).