2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide

C15H23NOS — CID 78786758

IUPAC2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSCc1cc(C)ccc1C
InChIInChI=1S/C15H23NOS/c1-5-16(6-2)15(17)11-18-10-14-9-12(3)7-8-13(14)4/h7-9H,5-6,10-11H2,1-4H3
InChIKeyOCKDRJDSTAXJOL-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.41
Rot. Bonds6

About 2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide

2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide (PubChem CID 78786758) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide
PubChem CID78786758
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSCc1cc(C)ccc1C
InChIInChI=1S/C15H23NOS/c1-5-16(6-2)15(17)11-18-10-14-9-12(3)7-8-13(14)4/h7-9H,5-6,10-11H2,1-4H3
InChIKeyOCKDRJDSTAXJOL-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 60629714
methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]acetate
CID 78765913
3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 60960943
2-[(3-amino-2-methylphenyl)methylsulfanyl]-N,N-diethylacetamide
CID 114233587
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 83518576
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetic acid
CID 61021775
2-[(4-bromophenyl)methylsulfanyl]-N,N-diethylacetamide
CID 967739
2-amino-3-[(2,5-dimethylphenyl)methylsulfanyl]propanoic acid;hydrochloride
CID 126459934
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 78815223
3-[(2,5-dimethylphenyl)methylsulfanyl]propan-1-amine
CID 66219052
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N,N-diethylacetamide
CID 114233566

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide (CID 78786758) is 2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSCc1cc(C)ccc1C.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide?
The InChIKey is OCKDRJDSTAXJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-5-16(6-2)15(17)11-18-10-14-9-12(3)7-8-13(14)4/h7-9H,5-6,10-11H2,1-4H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide?
2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide has a molecular weight of 265.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 78786758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).