3-(4-fluorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide

C18H20FNO2S — CID 9365822

IUPAC3-(4-fluorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCc1ccc(OCCNC(=O)CCSc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO2S/c1-14-2-6-16(7-3-14)22-12-11-20-18(21)10-13-23-17-8-4-15(19)5-9-17/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyNOSTWPVWOLLGIT-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.81
Rot. Bonds8

About 3-(4-fluorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide

3-(4-fluorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide (PubChem CID 9365822) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
PubChem CID9365822
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCc1ccc(OCCNC(=O)CCSc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO2S/c1-14-2-6-16(7-3-14)22-12-11-20-18(21)10-13-23-17-8-4-15(19)5-9-17/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyNOSTWPVWOLLGIT-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
(+/-)-2-(4''-Butoxyphenyl)thiomorpholin-5-one
CID 46233264
(+/-)-2-(4''-Benzyloxyphenyl)thiomorpholin-5-one
CID 46233265
N-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide
CID 2174469
(+/-)-2-(4''-Ethoxyphenyl)thiomorpholin-5-one
CID 46233198
(+/-)-2-(4''-Propoxyphenyl)thiomorpholin-5-one
CID 46233199
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 4791683
(3-Phenoxy-propyl)-(2-p-tolylsulfanyl-ethyl)-amine
CID 10542345
3-[(3-fluorobenzyl)thio]-N-(4-methoxybenzyl)propanamide
CID 3429613
2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 53257306
2-(benzylthio)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2896543
2-phenoxy-N-[2-(phenylsulfanyl)ethyl]acetamide
CID 2899466

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide (CID 9365822) is 3-(4-fluorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide is Cc1ccc(OCCNC(=O)CCSc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The InChIKey is NOSTWPVWOLLGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-14-2-6-16(7-3-14)22-12-11-20-18(21)10-13-23-17-8-4-15(19)5-9-17/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
3-(4-fluorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide has a molecular weight of 333.43 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 9365822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).