N-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide

C18H20ClNO2S — CID 31088989

IUPACN-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide
SMILESCc1ccccc1OCCSCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2S/c1-14-4-2-3-5-17(14)22-10-11-23-13-18(21)20-12-15-6-8-16(19)9-7-15/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyOGRLFDWTEJLZNI-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.08
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide

N-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide (PubChem CID 31088989) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide
PubChem CID31088989
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide
SMILESCc1ccccc1OCCSCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2S/c1-14-4-2-3-5-17(14)22-10-11-23-13-18(21)20-12-15-6-8-16(19)9-7-15/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyOGRLFDWTEJLZNI-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.08
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

2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 38958373
4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 2094963
2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125
N-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide
CID 31543597
N-[(4-chlorophenyl)methyl]-2-(2-methylsulfonylethylsulfanyl)acetamide
CID 56782791
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 8928706
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 38957471
4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 84555813
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 55316485
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
N-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide
CID 2819419
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112992693

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide (CID 31088989) is N-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide is Cc1ccccc1OCCSCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide?
The InChIKey is OGRLFDWTEJLZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-14-4-2-3-5-17(14)22-10-11-23-13-18(21)20-12-15-6-8-16(19)9-7-15/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide has a molecular weight of 349.88 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide is sourced from PubChem (CID 31088989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).