2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide

C16H17N3O6S — CID 50893011

IUPAC2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(N)=O)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H17N3O6S/c1-2-25-14-8-6-12(7-9-14)18(11-16(17)20)26(23,24)15-5-3-4-13(10-15)19(21)22/h3-10H,2,11H2,1H3,(H2,17,20)
InChIKeyNOFWSZTXPYXQPB-UHFFFAOYSA-N
MW379.39 g/mol
LogP1.67
Rot. Bonds8

About 2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide

2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide (PubChem CID 50893011) has the molecular formula C16H17N3O6S and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide
PubChem CID50893011
Molecular FormulaC16H17N3O6S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(N)=O)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H17N3O6S/c1-2-25-14-8-6-12(7-9-14)18(11-16(17)20)26(23,24)15-5-3-4-13(10-15)19(21)22/h3-10H,2,11H2,1H3,(H2,17,20)
InChIKeyNOFWSZTXPYXQPB-UHFFFAOYSA-N
XLogP1.67
TPSA132.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 51.67
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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Related Compounds

2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 798122
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 50893049
2-(N-(3-nitrophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide
CID 50894530
ethyl 2-(N-(3-nitrophenyl)sulfonyl-4-propan-2-ylanilino)acetate
CID 50895844
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-3-nitrobenzamide
CID 19211370
ethyl 2-[4-(cyanomethyl)-N-(3-nitrophenyl)sulfonylanilino]acetate
CID 100522436
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 2253877
2-(4-ethoxy-N-ethylsulfonylanilino)acetamide
CID 50893065
2-(4-iodo-N-(3-nitrophenyl)sulfonylanilino)acetyl chloride
CID 50891021
2-(4-bromo-N-(3-nitrophenyl)sulfonylanilino)acetyl chloride
CID 50890813
(3-nitrophenyl) 4-ethoxybenzenesulfonate
CID 51169952
ethyl 2-(N-naphthalen-2-ylsulfonyl-3-nitroanilino)acetate
CID 100533956

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide?
The IUPAC name of 2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide (CID 50893011) is 2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide?
The canonical SMILES for 2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide is CCOc1ccc(N(CC(N)=O)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide?
The InChIKey is NOFWSZTXPYXQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6S/c1-2-25-14-8-6-12(7-9-14)18(11-16(17)20)26(23,24)15-5-3-4-13(10-15)19(21)22/h3-10H,2,11H2,1H3,(H2,17,20).
What are the key properties of 2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide?
2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide has a molecular weight of 379.39 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 50893011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).