2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide

C16H16FN3O5S — CID 60583708

IUPAC2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16FN3O5S/c17-13-3-1-12(2-4-13)11-16(21)18-9-10-19-26(24,25)15-7-5-14(6-8-15)20(22)23/h1-8,19H,9-11H2,(H,18,21)
InChIKeyFYFPVPBAYKIEDD-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.37
Rot. Bonds8

About 2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide

2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide (PubChem CID 60583708) has the molecular formula C16H16FN3O5S and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide
PubChem CID60583708
Molecular FormulaC16H16FN3O5S
Molecular Weight381.39 g/mol
Exact Mass381.08
IUPAC Name2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16FN3O5S/c17-13-3-1-12(2-4-13)11-16(21)18-9-10-19-26(24,25)15-7-5-14(6-8-15)20(22)23/h1-8,19H,9-11H2,(H,18,21)
InChIKeyFYFPVPBAYKIEDD-UHFFFAOYSA-N
XLogP1.37
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]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

2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 60583733
3-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119305416
4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119305436
4-(methylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119752364
N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
CID 62657388
2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride
CID 119752398
2-[(4-fluorophenyl)sulfonylamino]ethylurea
CID 78994332
N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
CID 2054852
N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 119382683
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 119752383
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119305426

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide (CID 60583708) is 2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide is O=C(Cc1ccc(F)cc1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is FYFPVPBAYKIEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O5S/c17-13-3-1-12(2-4-13)11-16(21)18-9-10-19-26(24,25)15-7-5-14(6-8-15)20(22)23/h1-8,19H,9-11H2,(H,18,21).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 381.39 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 60583708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).