N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide

C20H24ClNO2S — CID 21367179

IUPACN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NCCSCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClNO2S/c1-16-4-10-19(11-5-16)24-13-2-3-20(23)22-12-14-25-15-17-6-8-18(21)9-7-17/h4-11H,2-3,12-15H2,1H3,(H,22,23)
InChIKeyOKXAAWCDQCKENJ-UHFFFAOYSA-N
MW377.94 g/mol
LogP4.86
Rot. Bonds10

About N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide

N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide (PubChem CID 21367179) has the molecular formula C20H24ClNO2S and a molecular weight of 377.94 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide
PubChem CID21367179
Molecular FormulaC20H24ClNO2S
Molecular Weight377.94 g/mol
Exact Mass377.12
IUPAC NameN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NCCSCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClNO2S/c1-16-4-10-19(11-5-16)24-13-2-3-20(23)22-12-14-25-15-17-6-8-18(21)9-7-17/h4-11H,2-3,12-15H2,1H3,(H,22,23)
InChIKeyOKXAAWCDQCKENJ-UHFFFAOYSA-N
XLogP4.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 54.86
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-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 100588605
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide
CID 38016538
N-(2-benzylsulfanylethyl)-4-(4-methoxyphenoxy)butanamide
CID 21368216
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2284206
3-[(4-chlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 4064424
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-methylbenzamide
CID 7582460
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide
CID 108572895
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide
CID 103801086
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-cyanophenoxy)acetamide
CID 7582555
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 38958373
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide (CID 21367179) is N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide is Cc1ccc(OCCCC(=O)NCCSCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide?
The InChIKey is OKXAAWCDQCKENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2S/c1-16-4-10-19(11-5-16)24-13-2-3-20(23)22-12-14-25-15-17-6-8-18(21)9-7-17/h4-11H,2-3,12-15H2,1H3,(H,22,23).
What are the key properties of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide?
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide has a molecular weight of 377.94 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 21367179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).