(2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide

C19H22FNO2S — CID 94012917

IUPAC(2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@H](C)C(=O)NCCSCc1ccccc1F
InChIInChI=1S/C19H22FNO2S/c1-14-7-3-6-10-18(14)23-15(2)19(22)21-11-12-24-13-16-8-4-5-9-17(16)20/h3-10,15H,11-13H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyJMQXUSCPOVVZGF-OAHLLOKOSA-N
MW347.45 g/mol
LogP3.95
Rot. Bonds8

About (2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide

(2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide (PubChem CID 94012917) has the molecular formula C19H22FNO2S and a molecular weight of 347.45 g/mol. Its IUPAC name is (2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
PubChem CID94012917
Molecular FormulaC19H22FNO2S
Molecular Weight347.45 g/mol
Exact Mass347.14
IUPAC Name(2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@H](C)C(=O)NCCSCc1ccccc1F
InChIInChI=1S/C19H22FNO2S/c1-14-7-3-6-10-18(14)23-15(2)19(22)21-11-12-24-13-16-8-4-5-9-17(16)20/h3-10,15H,11-13H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyJMQXUSCPOVVZGF-OAHLLOKOSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.95
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

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)propanamide
CID 132654566
N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide
CID 46773020
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide
CID 132651623
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 43875466
(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
CID 119271967
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 99954558
(2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 28575591
2-(2,4-dimethylphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]butanamide
CID 132656452
(2R)-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide
CID 28564714
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide
CID 43875303
2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 43916117
2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methoxypropanamide
CID 120983883

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide (CID 94012917) is (2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide is Cc1ccccc1O[C@H](C)C(=O)NCCSCc1ccccc1F.
What is the InChIKey of (2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide?
The InChIKey is JMQXUSCPOVVZGF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-14-7-3-6-10-18(14)23-15(2)19(22)21-11-12-24-13-16-8-4-5-9-17(16)20/h3-10,15H,11-13H2,1-2H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide?
(2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide has a molecular weight of 347.45 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 94012917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).