N-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide

C18H29NO2S — CID 133244562

IUPACN-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
SMILESCCCCC(CC)CNC(=O)CSCc1ccc(OC)cc1
InChIInChI=1S/C18H29NO2S/c1-4-6-7-15(5-2)12-19-18(20)14-22-13-16-8-10-17(21-3)11-9-16/h8-11,15H,4-7,12-14H2,1-3H3,(H,19,20)
InChIKeyJBJPMUIFBAUOTN-UHFFFAOYSA-N
MW323.50 g/mol
LogP4.26
Rot. Bonds11

About N-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide

N-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide (PubChem CID 133244562) has the molecular formula C18H29NO2S and a molecular weight of 323.50 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
PubChem CID133244562
Molecular FormulaC18H29NO2S
Molecular Weight323.50 g/mol
Exact Mass323.19
IUPAC NameN-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
SMILESCCCCC(CC)CNC(=O)CSCc1ccc(OC)cc1
InChIInChI=1S/C18H29NO2S/c1-4-6-7-15(5-2)12-19-18(20)14-22-13-16-8-10-17(21-3)11-9-16/h8-11,15H,4-7,12-14H2,1-3H3,(H,19,20)
InChIKeyJBJPMUIFBAUOTN-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylhexyl)-4-(4-methoxyphenoxy)butanamide
CID 2791782
N-(2-ethylhexyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 55334631
2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide
CID 53279533
N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 103725615
N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279569
2-[(4-methoxyphenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 53279539
2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725476
1-(2-ethylhexyl)-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111127552
methyl 4-[[2-(butylamino)-2-oxoethyl]sulfanylmethyl]benzoate
CID 78786747
2-[(4-methoxyphenyl)methylsulfanyl]acetyl chloride
CID 13273375
2-[(4-bromophenyl)methylsulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2971850
N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide
CID 97038167

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide (CID 133244562) is N-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide is CCCCC(CC)CNC(=O)CSCc1ccc(OC)cc1.
What is the InChIKey of N-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
The InChIKey is JBJPMUIFBAUOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2S/c1-4-6-7-15(5-2)12-19-18(20)14-22-13-16-8-10-17(21-3)11-9-16/h8-11,15H,4-7,12-14H2,1-3H3,(H,19,20).
What are the key properties of N-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
N-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide has a molecular weight of 323.50 g/mol, XLogP of 4.26, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 133244562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).