N-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide

C20H18N2O6S — CID 3890820

IUPACN-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide
SMILESCCOc1ccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H18N2O6S/c1-2-28-16-8-10-18(19(12-16)22(24)25)21-20(23)13-29(26,27)17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,2,13H2,1H3,(H,21,23)
InChIKeyZVNRFFHOVSJMIV-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.56
Rot. Bonds7

About N-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide

N-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide (PubChem CID 3890820) has the molecular formula C20H18N2O6S and a molecular weight of 414.44 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide
PubChem CID3890820
Molecular FormulaC20H18N2O6S
Molecular Weight414.44 g/mol
Exact Mass414.09
IUPAC NameN-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide
SMILESCCOc1ccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H18N2O6S/c1-2-28-16-8-10-18(19(12-16)22(24)25)21-20(23)13-29(26,27)17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,2,13H2,1H3,(H,21,23)
InChIKeyZVNRFFHOVSJMIV-UHFFFAOYSA-N
XLogP3.56
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.56
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-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide 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-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7544866
2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 18870056
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 4079901
N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 16849665
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
CID 3406860
N-(4-ethoxy-2-nitrophenyl)methanesulfonamide
CID 60640247

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide (CID 3890820) is N-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide is CCOc1ccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide?
The InChIKey is ZVNRFFHOVSJMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6S/c1-2-28-16-8-10-18(19(12-16)22(24)25)21-20(23)13-29(26,27)17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,2,13H2,1H3,(H,21,23).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide?
N-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide has a molecular weight of 414.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide is sourced from PubChem (CID 3890820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).