2-(4-fluorophenyl)sulfanyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]acetamide

C20H19FN2O3S2 — CID 123692183

IUPAC2-(4-fluorophenyl)sulfanyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19FN2O3S2/c21-17-6-8-18(9-7-17)27-14-20(24)22-11-12-23-28(25,26)19-10-5-15-3-1-2-4-16(15)13-19/h1-10,13,23H,11-12,14H2,(H,22,24)
InChIKeyDREDXRIWVAJMJU-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.17
Rot. Bonds8

About 2-(4-fluorophenyl)sulfanyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]acetamide (PubChem CID 123692183) has the molecular formula C20H19FN2O3S2 and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]acetamide
PubChem CID123692183
Molecular FormulaC20H19FN2O3S2
Molecular Weight418.52 g/mol
Exact Mass418.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19FN2O3S2/c21-17-6-8-18(9-7-17)27-14-20(24)22-11-12-23-28(25,26)19-10-5-15-3-1-2-4-16(15)13-19/h1-10,13,23H,11-12,14H2,(H,22,24)
InChIKeyDREDXRIWVAJMJU-UHFFFAOYSA-N
XLogP3.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]acetamide (CID 123692183) is 2-(4-fluorophenyl)sulfanyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]acetamide is O=C(CSc1ccc(F)cc1)NCCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]acetamide?
The InChIKey is DREDXRIWVAJMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S2/c21-17-6-8-18(9-7-17)27-14-20(24)22-11-12-23-28(25,26)19-10-5-15-3-1-2-4-16(15)13-19/h1-10,13,23H,11-12,14H2,(H,22,24).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]acetamide has a molecular weight of 418.52 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 123692183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).