N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide

C12H17FN2O4S — CID 131921415

IUPACN-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)NCCC(=O)NCCOc1ccccc1F
InChIInChI=1S/C12H17FN2O4S/c1-20(17,18)15-7-6-12(16)14-8-9-19-11-5-3-2-4-10(11)13/h2-5,15H,6-9H2,1H3,(H,14,16)
InChIKeyCNWAFRHOCDSWPR-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.26
Rot. Bonds8

About N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide

N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide (PubChem CID 131921415) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide
PubChem CID131921415
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)NCCC(=O)NCCOc1ccccc1F
InChIInChI=1S/C12H17FN2O4S/c1-20(17,18)15-7-6-12(16)14-8-9-19-11-5-3-2-4-10(11)13/h2-5,15H,6-9H2,1H3,(H,14,16)
InChIKeyCNWAFRHOCDSWPR-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

2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide
CID 38419839
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide
CID 46451984
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 7927608
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18162061
N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119505851
1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea
CID 112970219

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide (CID 131921415) is N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide is CS(=O)(=O)NCCC(=O)NCCOc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide?
The InChIKey is CNWAFRHOCDSWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-20(17,18)15-7-6-12(16)14-8-9-19-11-5-3-2-4-10(11)13/h2-5,15H,6-9H2,1H3,(H,14,16).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide?
N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide 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 N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 131921415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).