N-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide

C19H24N2O5S — CID 123123362

IUPACN-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
SMILESCCCOc1c[nH]c(CS(=O)CC(=O)Nc2ccccc2OCC)cc1=O
InChIInChI=1S/C19H24N2O5S/c1-3-9-26-18-11-20-14(10-16(18)22)12-27(24)13-19(23)21-15-7-5-6-8-17(15)25-4-2/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGDUFELTYMUIYML-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.45
Rot. Bonds10

About N-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide

N-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide (PubChem CID 123123362) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
PubChem CID123123362
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
SMILESCCCOc1c[nH]c(CS(=O)CC(=O)Nc2ccccc2OCC)cc1=O
InChIInChI=1S/C19H24N2O5S/c1-3-9-26-18-11-20-14(10-16(18)22)12-27(24)13-19(23)21-15-7-5-6-8-17(15)25-4-2/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGDUFELTYMUIYML-UHFFFAOYSA-N
XLogP2.45
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
CID 123123361
N-(2,5-dimethylphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
CID 123123388
N-(2,5-dimethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
CID 123123377
N-(2-methylpropyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
CID 123123474
methyl 4-methyl-2-[[2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 123123587
2-(2-naphthalen-1-yloxyethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one
CID 123115968
ethyl 4-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinylmethyl]benzoate
CID 123109216
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
butyl 2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanoate
CID 123123491
3-(3,5-dioxopyrazolidin-4-yl)-N-(2-ethoxyphenyl)propanamide
CID 110703759

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide (CID 123123362) is N-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide is CCCOc1c[nH]c(CS(=O)CC(=O)Nc2ccccc2OCC)cc1=O.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide?
The InChIKey is GDUFELTYMUIYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-3-9-26-18-11-20-14(10-16(18)22)12-27(24)13-19(23)21-15-7-5-6-8-17(15)25-4-2/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide?
N-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide has a molecular weight of 392.48 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide is sourced from PubChem (CID 123123362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).