3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide

C17H19N3O5S — CID 17192905

IUPAC3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCc1ccccc1
InChIInChI=1S/C17H19N3O5S/c21-17(18-12-10-14-4-2-1-3-5-14)11-13-19-26(24,25)16-8-6-15(7-9-16)20(22)23/h1-9,19H,10-13H2,(H,18,21)
InChIKeyQEPDGJBTRPSGPH-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.62
Rot. Bonds9

About 3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide

3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide (PubChem CID 17192905) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
PubChem CID17192905
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCc1ccccc1
InChIInChI=1S/C17H19N3O5S/c21-17(18-12-10-14-4-2-1-3-5-14)11-13-19-26(24,25)16-8-6-15(7-9-16)20(22)23/h1-9,19H,10-13H2,(H,18,21)
InChIKeyQEPDGJBTRPSGPH-UHFFFAOYSA-N
XLogP1.62
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 682201
N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 119382683
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
3-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119305416
N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride
CID 119430375
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192886
3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118763
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate
CID 7913064
N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 126245131
3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806909
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide (CID 17192905) is 3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide is O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCc1ccccc1.
What is the InChIKey of 3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The InChIKey is QEPDGJBTRPSGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c21-17(18-12-10-14-4-2-1-3-5-14)11-13-19-26(24,25)16-8-6-15(7-9-16)20(22)23/h1-9,19H,10-13H2,(H,18,21).
What are the key properties of 3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide has a molecular weight of 377.42 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 17192905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).