2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide

C19H23NO5S — CID 26958270

IUPAC2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(OC)c1
InChIInChI=1S/C19H23NO5S/c1-13(14-6-9-17(10-7-14)26(4,22)23)20-19(21)11-15-5-8-16(24-2)12-18(15)25-3/h5-10,12-13H,11H2,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyGSKCFISSOWQUPW-ZDUSSCGKSA-N
MW377.46 g/mol
LogP2.53
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide

2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 26958270) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID26958270
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(OC)c1
InChIInChI=1S/C19H23NO5S/c1-13(14-6-9-17(10-7-14)26(4,22)23)20-19(21)11-15-5-8-16(24-2)12-18(15)25-3/h5-10,12-13H,11H2,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyGSKCFISSOWQUPW-ZDUSSCGKSA-N
XLogP2.53
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 46418763
2-(2-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 40636202
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165854
2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096228
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 28560333
N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 43874167
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100754253
3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26958285
2-(2,4-dimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79255130
2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096212
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 26958270) is 2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide is COc1ccc(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is GSKCFISSOWQUPW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-13(14-6-9-17(10-7-14)26(4,22)23)20-19(21)11-15-5-8-16(24-2)12-18(15)25-3/h5-10,12-13H,11H2,1-4H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 377.46 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 26958270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).