2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C20H24ClNO2S — CID 31543702

IUPAC2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CSCCOc1cccc(Cl)c1
InChIInChI=1S/C20H24ClNO2S/c1-14(2)18-9-4-6-15(3)20(18)22-19(23)13-25-11-10-24-17-8-5-7-16(21)12-17/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyYRJXMUZJAYSWFL-UHFFFAOYSA-N
MW377.94 g/mol
LogP5.52
Rot. Bonds8

About 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 31543702) has the molecular formula C20H24ClNO2S and a molecular weight of 377.94 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID31543702
Molecular FormulaC20H24ClNO2S
Molecular Weight377.94 g/mol
Exact Mass377.12
IUPAC Name2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CSCCOc1cccc(Cl)c1
InChIInChI=1S/C20H24ClNO2S/c1-14(2)18-9-4-6-15(3)20(18)22-19(23)13-25-11-10-24-17-8-5-7-16(21)12-17/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyYRJXMUZJAYSWFL-UHFFFAOYSA-N
XLogP5.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.94
LogP ≤ 55.52
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-(2,6-dimethylphenyl)acetamide
CID 38957471
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 100719936
N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089301
2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 19203579
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175939
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 9331155
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 46693728
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9252437
2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2338112
N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954608
2-(4-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2165744
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853550

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 31543702) is 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)CSCCOc1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is YRJXMUZJAYSWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2S/c1-14(2)18-9-4-6-15(3)20(18)22-19(23)13-25-11-10-24-17-8-5-7-16(21)12-17/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,23).
What are the key properties of 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 377.94 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 31543702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).