2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide

C15H24N2OS — CID 134064956

IUPAC2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CSCCN(C)C
InChIInChI=1S/C15H24N2OS/c1-5-13-8-6-7-12(2)15(13)16-14(18)11-19-10-9-17(3)4/h6-8H,5,9-11H2,1-4H3,(H,16,18)
InChIKeyCXPUTPUJEXTLOJ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.79
Rot. Bonds7

About 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide

2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 134064956) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID134064956
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CSCCN(C)C
InChIInChI=1S/C15H24N2OS/c1-5-13-8-6-7-12(2)15(13)16-14(18)11-19-10-9-17(3)4/h6-8H,5,9-11H2,1-4H3,(H,16,18)
InChIKeyCXPUTPUJEXTLOJ-UHFFFAOYSA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.79
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-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109016429
tert-butyl N-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylethyl]carbamate
CID 84553630
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66102896
N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 28631186
N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide;hydrochloride
CID 131864899
2-(dimethylamino)ethyl N-(2-ethyl-6-methylphenyl)carbamate
CID 44722433
2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 30546775
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 82182301
2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide
CID 134064922
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide (CID 134064956) is 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CSCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is CXPUTPUJEXTLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-5-13-8-6-7-12(2)15(13)16-14(18)11-19-10-9-17(3)4/h6-8H,5,9-11H2,1-4H3,(H,16,18).
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 280.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 134064956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).