2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide

C23H23N3O6S — CID 4943654

IUPAC2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C23H23N3O6S/c1-17(32-22-10-6-5-9-21(22)26(28)29)23(27)25-19-11-13-20(14-12-19)33(30,31)24-16-15-18-7-3-2-4-8-18/h2-14,17,24H,15-16H2,1H3,(H,25,27)
InChIKeyKEWLCDRIUBKLFO-UHFFFAOYSA-N
MW469.52 g/mol
LogP3.52
Rot. Bonds10

About 2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide

2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (PubChem CID 4943654) has the molecular formula C23H23N3O6S and a molecular weight of 469.52 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
PubChem CID4943654
Molecular FormulaC23H23N3O6S
Molecular Weight469.52 g/mol
Exact Mass469.13
IUPAC Name2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C23H23N3O6S/c1-17(32-22-10-6-5-9-21(22)26(28)29)23(27)25-19-11-13-20(14-12-19)33(30,31)24-16-15-18-7-3-2-4-8-18/h2-14,17,24H,15-16H2,1H3,(H,25,27)
InChIKeyKEWLCDRIUBKLFO-UHFFFAOYSA-N
XLogP3.52
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.52
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-methylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 2980531
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 1309880
2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4947557
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
(2R)-N-(4-iodophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205324
(2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7503731
N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide
CID 4931586
(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide
CID 9205295

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (CID 4943654) is 2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is CC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The InChIKey is KEWLCDRIUBKLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6S/c1-17(32-22-10-6-5-9-21(22)26(28)29)23(27)25-19-11-13-20(14-12-19)33(30,31)24-16-15-18-7-3-2-4-8-18/h2-14,17,24H,15-16H2,1H3,(H,25,27).
What are the key properties of 2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide has a molecular weight of 469.52 g/mol, XLogP of 3.52, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 4943654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).