2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide

C20H25NO2S — CID 21367716

IUPAC2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)NCCSCc2ccccc2C)c1
InChIInChI=1S/C20H25NO2S/c1-15-10-16(2)12-19(11-15)23-13-20(22)21-8-9-24-14-18-7-5-4-6-17(18)3/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,21,22)
InChIKeyCRERQXHELWUXNH-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.04
Rot. Bonds8

About 2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide

2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 21367716) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide
PubChem CID21367716
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)NCCSCc2ccccc2C)c1
InChIInChI=1S/C20H25NO2S/c1-15-10-16(2)12-19(11-15)23-13-20(22)21-8-9-24-14-18-7-5-4-6-17(18)3/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,21,22)
InChIKeyCRERQXHELWUXNH-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.04
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-cyanophenyl)methylsulfanyl]ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8757095
(2S)-2-(3-methylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 93486741
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 8757113
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide
CID 21367691
(2S)-2-(3,4-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 94012140
2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 94870746
3-methoxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]naphthalene-2-carboxamide
CID 92679628
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757900
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenoxy)acetamide
CID 8757102
2-(4-chloro-3-methylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 132656767

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide (CID 21367716) is 2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide is Cc1cc(C)cc(OCC(=O)NCCSCc2ccccc2C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is CRERQXHELWUXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-15-10-16(2)12-19(11-15)23-13-20(22)21-8-9-24-14-18-7-5-4-6-17(18)3/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,21,22).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 343.49 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 21367716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).