N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide

C18H19NO2S — CID 2409282

IUPACN-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C18H19NO2S/c1-12-4-5-13(2)17(10-12)18(21)11-22-16-8-6-15(7-9-16)19-14(3)20/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyTWEIMZZOZHODOG-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.24
Rot. Bonds5

About N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide

N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide (PubChem CID 2409282) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide
PubChem CID2409282
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC NameN-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C18H19NO2S/c1-12-4-5-13(2)17(10-12)18(21)11-22-16-8-6-15(7-9-16)19-14(3)20/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyTWEIMZZOZHODOG-UHFFFAOYSA-N
XLogP4.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(Z)-N-(4-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl)acetamide
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6-(4-methylphenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide (CID 2409282) is N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCC(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
The InChIKey is TWEIMZZOZHODOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-12-4-5-13(2)17(10-12)18(21)11-22-16-8-6-15(7-9-16)19-14(3)20/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide?
N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide has a molecular weight of 313.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 2409282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).