2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide

C19H23NO3S — CID 75513079

IUPAC2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CS(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C19H23NO3S/c1-14-7-8-15(2)18(11-14)24(22)13-19(21)20-10-9-16-5-4-6-17(12-16)23-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,20,21)
InChIKeyVUKKUWAIQJIFIS-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.78
Rot. Bonds7

About 2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide

2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 75513079) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID75513079
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CS(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C19H23NO3S/c1-14-7-8-15(2)18(11-14)24(22)13-19(21)20-10-9-16-5-4-6-17(12-16)23-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,20,21)
InChIKeyVUKKUWAIQJIFIS-UHFFFAOYSA-N
XLogP2.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977879
3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025525
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 38002281
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
2-(3,4-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977913
N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948679
2-(2-bromo-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001108
N'-(3,5-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948677
methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 47308059
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113124161

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 75513079) is 2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)CS(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is VUKKUWAIQJIFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14-7-8-15(2)18(11-14)24(22)13-19(21)20-10-9-16-5-4-6-17(12-16)23-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,20,21).
What are the key properties of 2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 345.46 g/mol, XLogP of 2.78, 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)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 75513079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).