2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide

C19H23NO2S — CID 42150419

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)CSc1cc(C)ccc1C
InChIInChI=1S/C19H23NO2S/c1-4-11-22-17-8-6-5-7-16(17)20-19(21)13-23-18-12-14(2)9-10-15(18)3/h5-10,12H,4,11,13H2,1-3H3,(H,20,21)
InChIKeyYGMQBIJDIFAKGN-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.82
Rot. Bonds7

About 2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide (PubChem CID 42150419) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide
PubChem CID42150419
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)CSc1cc(C)ccc1C
InChIInChI=1S/C19H23NO2S/c1-4-11-22-17-8-6-5-7-16(17)20-19(21)13-23-18-12-14(2)9-10-15(18)3/h5-10,12H,4,11,13H2,1-3H3,(H,20,21)
InChIKeyYGMQBIJDIFAKGN-UHFFFAOYSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242
N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide
CID 34345609
2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
CID 112793569
2,5-dimethyl-N-(2-propoxyphenyl)benzamide
CID 78772580
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119440366
2-anilino-N-(2-propoxyphenyl)acetamide
CID 51286142
2-(2-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 2337984
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(2-propoxyphenyl)acetamide
CID 30725586
2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propoxyphenyl)acetamide
CID 42124801
methyl N-(2-propoxyphenyl)carbamate
CID 19872099

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide (CID 42150419) is 2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide is CCCOc1ccccc1NC(=O)CSc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide?
The InChIKey is YGMQBIJDIFAKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-4-11-22-17-8-6-5-7-16(17)20-19(21)13-23-18-12-14(2)9-10-15(18)3/h5-10,12H,4,11,13H2,1-3H3,(H,20,21).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide has a molecular weight of 329.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide is sourced from PubChem (CID 42150419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).