N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide

C20H24ClNO2S — CID 43875303

IUPACN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1OC(C)C(=O)NCCSCc1ccccc1Cl
InChIInChI=1S/C20H24ClNO2S/c1-3-16-8-5-7-11-19(16)24-15(2)20(23)22-12-13-25-14-17-9-4-6-10-18(17)21/h4-11,15H,3,12-14H2,1-2H3,(H,22,23)
InChIKeyPALOLLGDNSOKOM-UHFFFAOYSA-N
MW377.94 g/mol
LogP4.72
Rot. Bonds9

About N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide

N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide (PubChem CID 43875303) has the molecular formula C20H24ClNO2S and a molecular weight of 377.94 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide
PubChem CID43875303
Molecular FormulaC20H24ClNO2S
Molecular Weight377.94 g/mol
Exact Mass377.12
IUPAC NameN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1OC(C)C(=O)NCCSCc1ccccc1Cl
InChIInChI=1S/C20H24ClNO2S/c1-3-16-8-5-7-11-19(16)24-15(2)20(23)22-12-13-25-14-17-9-4-6-10-18(17)21/h4-11,15H,3,12-14H2,1-2H3,(H,22,23)
InChIKeyPALOLLGDNSOKOM-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 54.72
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

(2R)-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide
CID 28564714
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 43875466
1-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-propylurea
CID 100748298
(2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 94012917
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)propanamide
CID 132654566
(2S)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)propanamide
CID 9173320
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
CID 133200034
2-(4-chloro-3-methylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 132656767
N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide
CID 46773020
N-(2-cyclohexylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
CID 132760870
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133265315

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide (CID 43875303) is N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide is CCc1ccccc1OC(C)C(=O)NCCSCc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide?
The InChIKey is PALOLLGDNSOKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2S/c1-3-16-8-5-7-11-19(16)24-15(2)20(23)22-12-13-25-14-17-9-4-6-10-18(17)21/h4-11,15H,3,12-14H2,1-2H3,(H,22,23).
What are the key properties of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide?
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide has a molecular weight of 377.94 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethylphenoxy)propanamide is sourced from PubChem (CID 43875303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).