N-[2-(2-fluorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide

C18H20FNO4S — CID 9366501

IUPACN-[2-(2-fluorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCCOc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO4S/c1-14-6-8-15(9-7-14)25(22,23)13-10-18(21)20-11-12-24-17-5-3-2-4-16(17)19/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyZFBNDAWFUOXURH-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.49
Rot. Bonds8

About N-[2-(2-fluorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide

N-[2-(2-fluorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 9366501) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID9366501
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCCOc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO4S/c1-14-6-8-15(9-7-14)25(22,23)13-10-18(21)20-11-12-24-17-5-3-2-4-16(17)19/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyZFBNDAWFUOXURH-UHFFFAOYSA-N
XLogP2.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-Phenylsulfanyl-propyl)-(2-p-tolyloxy-ethyl)-amine
CID 10638052
N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 3129057
3-(4-Methoxybenzenesulfonyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 4290528
3-(4-methoxyphenyl)sulfonyl-N-[2-(3-methylphenyl)ethyl]propanamide
CID 4290530
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 4791683
N-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 9366247
(3-Phenoxy-propyl)-(2-p-tolylsulfanyl-ethyl)-amine
CID 10542345
2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]-N-[2-(4-sulfamoylphenoxy)ethyl]acetamide
CID 145973465
N-(2-methoxybenzyl)-2-[(4-methylphenyl)sulfonyl]acetamide
CID 4787851
N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-[(4-methoxyphenyl)sulfonyl]propanamide
CID 3244147
2-phenoxy-N-(2-(thiophen-2-yl)-2-tosylethyl)acetamide
CID 16032086
2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 53257306

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide (CID 9366501) is N-[2-(2-fluorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)NCCOc2ccccc2F)cc1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is ZFBNDAWFUOXURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-14-6-8-15(9-7-14)25(22,23)13-10-18(21)20-11-12-24-17-5-3-2-4-16(17)19/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide?
N-[2-(2-fluorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 365.43 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 9366501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).