2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide

C12H17FN2O4S — CID 38419839

IUPAC2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide
SMILESCS(=O)(=O)NCCCNC(=O)COc1ccccc1F
InChIInChI=1S/C12H17FN2O4S/c1-20(17,18)15-8-4-7-14-12(16)9-19-11-6-3-2-5-10(11)13/h2-3,5-6,15H,4,7-9H2,1H3,(H,14,16)
InChIKeyZDZYOABSBIEXFW-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.26
Rot. Bonds8

About 2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide

2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide (PubChem CID 38419839) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide
PubChem CID38419839
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide
SMILESCS(=O)(=O)NCCCNC(=O)COc1ccccc1F
InChIInChI=1S/C12H17FN2O4S/c1-20(17,18)15-8-4-7-14-12(16)9-19-11-6-3-2-5-10(11)13/h2-3,5-6,15H,4,7-9H2,1H3,(H,14,16)
InChIKeyZDZYOABSBIEXFW-UHFFFAOYSA-N
XLogP0.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.26
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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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide
CID 131921415
3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium
CID 2330207
2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 90500606
2-(2-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 35368287
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide
CID 112793555
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide
CID 48586236
2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768
N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18120320
N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
CID 51214747

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide (CID 38419839) is 2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide is CS(=O)(=O)NCCCNC(=O)COc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide?
The InChIKey is ZDZYOABSBIEXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-20(17,18)15-8-4-7-14-12(16)9-19-11-6-3-2-5-10(11)13/h2-3,5-6,15H,4,7-9H2,1H3,(H,14,16).
What are the key properties of 2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide?
2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide has a molecular weight of 304.34 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide is sourced from PubChem (CID 38419839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).