2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide

C18H21N3O6S — CID 30270152

IUPAC2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCCOc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C18H21N3O6S/c1-4-27-16-7-5-6-14(10-16)20(28(3,25)26)12-18(22)19-17-11-15(21(23)24)9-8-13(17)2/h5-11H,4,12H2,1-3H3,(H,19,22)
InChIKeyLOIYAHOFSJGJKJ-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.71
Rot. Bonds8

About 2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide

2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 30270152) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID30270152
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC Name2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCCOc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C18H21N3O6S/c1-4-27-16-7-5-6-14(10-16)20(28(3,25)26)12-18(22)19-17-11-15(21(23)24)9-8-13(17)2/h5-11H,4,12H2,1-3H3,(H,19,22)
InChIKeyLOIYAHOFSJGJKJ-UHFFFAOYSA-N
XLogP2.71
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.71
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 2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)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-(2-methyl-5-nitrophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 21372296
N-(2,6-dimethylphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30258396
2-(4-methyl-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 21372663
N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 1290835
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 1296001
2-(4-bromo-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 21372849
2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 30264702
N-(2,3-dichlorophenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30270996
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30257958
2-(3-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 30262151
N-(3-methoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 126032440
N-(5-chloro-2-methoxyphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30264909

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide (CID 30270152) is 2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide is CCOc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is LOIYAHOFSJGJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-4-27-16-7-5-6-14(10-16)20(28(3,25)26)12-18(22)19-17-11-15(21(23)24)9-8-13(17)2/h5-11H,4,12H2,1-3H3,(H,19,22).
What are the key properties of 2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide?
2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 407.45 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 30270152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).