2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide

C19H23NO2S — CID 78851945

IUPAC2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide
SMILESCOc1ccc(SCC(=O)NCc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H23NO2S/c1-13-9-14(2)18(15(3)10-13)11-20-19(21)12-23-17-7-5-16(22-4)6-8-17/h5-10H,11-12H2,1-4H3,(H,20,21)
InChIKeySSKRKUFKTPFITI-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.03
Rot. Bonds6

About 2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide

2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide (PubChem CID 78851945) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide
PubChem CID78851945
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide
SMILESCOc1ccc(SCC(=O)NCc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H23NO2S/c1-13-9-14(2)18(15(3)10-13)11-20-19(21)12-23-17-7-5-16(22-4)6-8-17/h5-10H,11-12H2,1-4H3,(H,20,21)
InChIKeySSKRKUFKTPFITI-UHFFFAOYSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 41287271
N-[(4-fluoro-3-methylphenyl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 29304367
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide
CID 112816195
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548488
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320662
N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46587644
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 28574214
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907978
N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 107318867
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 30307528
N-[(4-methoxyphenyl)methyl]-2-(2,4,6-trimethylanilino)acetamide
CID 54812010

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide (CID 78851945) is 2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide is COc1ccc(SCC(=O)NCc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide?
The InChIKey is SSKRKUFKTPFITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-13-9-14(2)18(15(3)10-13)11-20-19(21)12-23-17-7-5-16(22-4)6-8-17/h5-10H,11-12H2,1-4H3,(H,20,21).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide?
2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide has a molecular weight of 329.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide is sourced from PubChem (CID 78851945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).