N-[3-(2-fluorophenoxy)propyl]-2-(4-methylphenyl)sulfanylpropanamide

C19H22FNO2S — CID 24552554

IUPACN-[3-(2-fluorophenoxy)propyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)NCCCOc2ccccc2F)cc1
InChIInChI=1S/C19H22FNO2S/c1-14-8-10-16(11-9-14)24-15(2)19(22)21-12-5-13-23-18-7-4-3-6-17(18)20/h3-4,6-11,15H,5,12-13H2,1-2H3,(H,21,22)
InChIKeyVRYZBLXKHVATBW-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.20
Rot. Bonds8

About N-[3-(2-fluorophenoxy)propyl]-2-(4-methylphenyl)sulfanylpropanamide

N-[3-(2-fluorophenoxy)propyl]-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 24552554) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[3-(2-fluorophenoxy)propyl]-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenoxy)propyl]-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID24552554
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC NameN-[3-(2-fluorophenoxy)propyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)NCCCOc2ccccc2F)cc1
InChIInChI=1S/C19H22FNO2S/c1-14-8-10-16(11-9-14)24-15(2)19(22)21-12-5-13-23-18-7-4-3-6-17(18)20/h3-4,6-11,15H,5,12-13H2,1-2H3,(H,21,22)
InChIKeyVRYZBLXKHVATBW-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.20
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
N-(2-methoxybenzyl)-2-(phenylthio)acetamide
CID 881386
N-(2-methoxybenzyl)-2-[(4-methylphenyl)sulfanyl]propanamide
CID 2948658
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
2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 53257306
N-(2-methoxybenzyl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 847678
2-(benzylthio)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2896543
N-(4-methoxybenzyl)-2-[(4-methylphenyl)sulfanyl]propanamide
CID 2947920
1-[2-(4-Methylphenyl)sulfanylethylamino]-3-phenoxypropan-2-ol
CID 12439392
1-[3-(4-Methylphenyl)sulfanylpropylamino]-3-phenoxypropan-2-ol;hydrochloride
CID 12439395
N-(2-(4-fluorophenoxy)ethyl)-3-(phenylthio)propanamide
CID 30865902

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenoxy)propyl]-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[3-(2-fluorophenoxy)propyl]-2-(4-methylphenyl)sulfanylpropanamide (CID 24552554) is N-[3-(2-fluorophenoxy)propyl]-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[3-(2-fluorophenoxy)propyl]-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[3-(2-fluorophenoxy)propyl]-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)NCCCOc2ccccc2F)cc1.
What is the InChIKey of N-[3-(2-fluorophenoxy)propyl]-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is VRYZBLXKHVATBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-14-8-10-16(11-9-14)24-15(2)19(22)21-12-5-13-23-18-7-4-3-6-17(18)20/h3-4,6-11,15H,5,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-[3-(2-fluorophenoxy)propyl]-2-(4-methylphenyl)sulfanylpropanamide?
N-[3-(2-fluorophenoxy)propyl]-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 347.46 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenoxy)propyl]-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 24552554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).