2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide

C14H21NO2S — CID 3120116

IUPAC2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSCc1cc(C)cc(C)c1
InChIInChI=1S/C14H21NO2S/c1-11-6-12(2)8-13(7-11)9-18-10-14(16)15-4-5-17-3/h6-8H,4-5,9-10H2,1-3H3,(H,15,16)
InChIKeyMRNYSEZQBNKXOL-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.30
Rot. Bonds7

About 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide

2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 3120116) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide
PubChem CID3120116
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSCc1cc(C)cc(C)c1
InChIInChI=1S/C14H21NO2S/c1-11-6-12(2)8-13(7-11)9-18-10-14(16)15-4-5-17-3/h6-8H,4-5,9-10H2,1-3H3,(H,15,16)
InChIKeyMRNYSEZQBNKXOL-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.30
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-[(2-fluorobenzyl)thio]-N-(2-methoxyethyl)propanamide
CID 3236068
methyl (2S)-2-acetamido-3-benzylsulfanylpropanoate
CID 70682639
2-[(4-methylbenzyl)thio]-N-[3-(4-morpholinyl)propyl]acetamide
CID 2987188
2-(benzylthio)-N-[3-(4-morpholinyl)propyl]acetamide
CID 2986818
2-[[3-(Trifluoromethyl)phenyl]methylsulfanyl]morpholin-3-one
CID 10661222
2-[(2-Methylpropan-2-yl)oxycarbonylamino]ethyl benzylsulfanylformate
CID 162666992
N-(2-methoxyethyl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 2272037
2-[(3-methylphenyl)methylsulfonyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 45891821
2-[(3,5-dimethylbenzyl)thio]-N-methylacetamide
CID 875389
N-ethyl-2-[(4-methylbenzyl)sulfanyl]acetamide
CID 875559
2-(benzylsulfanyl)-N-(prop-2-en-1-yl)propanamide
CID 2888896
N-[2-(Benzylsulfanyl)ethyl]acetamide
CID 13447289

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide (CID 3120116) is 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSCc1cc(C)cc(C)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is MRNYSEZQBNKXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-6-12(2)8-13(7-11)9-18-10-14(16)15-4-5-17-3/h6-8H,4-5,9-10H2,1-3H3,(H,15,16).
What are the key properties of 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide?
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 267.39 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3120116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).