N-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide

C18H21N3O6S — CID 55527923

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O6S/c1-11(2)14-6-4-5-12(3)18(14)20-17(22)10-27-16-8-7-13(28(19,25)26)9-15(16)21(23)24/h4-9,11H,10H2,1-3H3,(H,20,22)(H2,19,25,26)
InChIKeyXEEHXKQJQCNNPF-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.69
Rot. Bonds7

About N-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide (PubChem CID 55527923) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
PubChem CID55527923
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O6S/c1-11(2)14-6-4-5-12(3)18(14)20-17(22)10-27-16-8-7-13(28(19,25)26)9-15(16)21(23)24/h4-9,11H,10H2,1-3H3,(H,20,22)(H2,19,25,26)
InChIKeyXEEHXKQJQCNNPF-UHFFFAOYSA-N
XLogP2.69
TPSA141.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
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

N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406605
N-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
CID 55528382
N-[2,6-di(propan-2-yl)phenyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 55406333
N-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
CID 55529140
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-nitro-4-sulfamoylphenoxy)acetamide
CID 55528814
2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7979886
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2-nitro-4-sulfamoylphenoxy)acetamide
CID 55528317
2-(4-bromo-2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 19201614
2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 727454
(2S)-2-(4-chloro-2-nitrophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8569313
2-(2-acetylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 112781602
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8919045

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide (CID 55527923) is N-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide is Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide?
The InChIKey is XEEHXKQJQCNNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-11(2)14-6-4-5-12(3)18(14)20-17(22)10-27-16-8-7-13(28(19,25)26)9-15(16)21(23)24/h4-9,11H,10H2,1-3H3,(H,20,22)(H2,19,25,26).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide has a molecular weight of 407.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide is sourced from PubChem (CID 55527923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).