2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide

C18H21NO2S — CID 7456554

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H21NO2S/c1-4-21-16-8-6-15(7-9-16)19-18(20)12-22-17-10-5-13(2)14(3)11-17/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyNRWNOEOOJPGEQI-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.43
Rot. Bonds6

About 2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide

2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide (PubChem CID 7456554) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
PubChem CID7456554
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H21NO2S/c1-4-21-16-8-6-15(7-9-16)19-18(20)12-22-17-10-5-13(2)14(3)11-17/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyNRWNOEOOJPGEQI-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 2949616
2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 9243979
N-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 86845710
N-(4-ethoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316662
4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2674334
2-(4-chlorophenyl)-N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22783162
N-(4-ethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316374
N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 18905949
N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 36553979
N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23094970
4-[[2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 23876822

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide (CID 7456554) is 2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The InChIKey is NRWNOEOOJPGEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-4-21-16-8-6-15(7-9-16)19-18(20)12-22-17-10-5-13(2)14(3)11-17/h5-11H,4,12H2,1-3H3,(H,19,20).
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide has a molecular weight of 315.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 7456554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).