2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide

C15H15N3O6S — CID 4951220

IUPAC2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H15N3O6S/c1-10(24-13-6-4-12(5-7-13)18(20)21)15(19)17-11-2-8-14(9-3-11)25(16,22)23/h2-10H,1H3,(H,17,19)(H2,16,22,23)
InChIKeyWAJSRKDKMNXGDX-UHFFFAOYSA-N
MW365.37 g/mol
LogP1.65
Rot. Bonds6

About 2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide

2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 4951220) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
PubChem CID4951220
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC Name2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H15N3O6S/c1-10(24-13-6-4-12(5-7-13)18(20)21)15(19)17-11-2-8-14(9-3-11)25(16,22)23/h2-10H,1H3,(H,17,19)(H2,16,22,23)
InChIKeyWAJSRKDKMNXGDX-UHFFFAOYSA-N
XLogP1.65
TPSA141.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.65
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

2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 7371830
(2S)-N-(4-methylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632168
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951209
(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 890882
propyl 4-[2-(4-nitrophenoxy)propanoylamino]benzoate
CID 4951235
2-(4-nitrophenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 4951265
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(4-fluorophenoxy)propanoate
CID 42902776
N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 4951338

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide (CID 4951220) is 2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide is CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is WAJSRKDKMNXGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S/c1-10(24-13-6-4-12(5-7-13)18(20)21)15(19)17-11-2-8-14(9-3-11)25(16,22)23/h2-10H,1H3,(H,17,19)(H2,16,22,23).
What are the key properties of 2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide?
2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 365.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 4951220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).