N-[2-(4-fluorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide

C17H18FN3O5S — CID 32514565

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
SMILESCN(CC(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H18FN3O5S/c1-20(27(25,26)16-4-2-3-15(11-16)21(23)24)12-17(22)19-10-9-13-5-7-14(18)8-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,22)
InChIKeyKFCKIPMYOMAYIR-UHFFFAOYSA-N
MW395.41 g/mol
LogP1.71
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide (PubChem CID 32514565) has the molecular formula C17H18FN3O5S and a molecular weight of 395.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
PubChem CID32514565
Molecular FormulaC17H18FN3O5S
Molecular Weight395.41 g/mol
Exact Mass395.10
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
SMILESCN(CC(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H18FN3O5S/c1-20(27(25,26)16-4-2-3-15(11-16)21(23)24)12-17(22)19-10-9-13-5-7-14(18)8-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,22)
InChIKeyKFCKIPMYOMAYIR-UHFFFAOYSA-N
XLogP1.71
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide (CID 32514565) is N-[2-(4-fluorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide is CN(CC(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide?
The InChIKey is KFCKIPMYOMAYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O5S/c1-20(27(25,26)16-4-2-3-15(11-16)21(23)24)12-17(22)19-10-9-13-5-7-14(18)8-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide has a molecular weight of 395.41 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 32514565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).