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

C19H24N2O6S — CID 123123377

IUPACN-(2,5-dimethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
SMILESCCCOc1c[nH]c(CS(=O)CC(=O)Nc2cc(OC)ccc2OC)cc1=O
InChIInChI=1S/C19H24N2O6S/c1-4-7-27-18-10-20-13(8-16(18)22)11-28(24)12-19(23)21-15-9-14(25-2)5-6-17(15)26-3/h5-6,8-10H,4,7,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUDQZUHBTIHGFQJ-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.07
Rot. Bonds10

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

N-(2,5-dimethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide (PubChem CID 123123377) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
PubChem CID123123377
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
SMILESCCCOc1c[nH]c(CS(=O)CC(=O)Nc2cc(OC)ccc2OC)cc1=O
InChIInChI=1S/C19H24N2O6S/c1-4-7-27-18-10-20-13(8-16(18)22)11-28(24)12-19(23)21-15-9-14(25-2)5-6-17(15)26-3/h5-6,8-10H,4,7,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUDQZUHBTIHGFQJ-UHFFFAOYSA-N
XLogP2.07
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-(2,5-dimethoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31547774
N-(2,5-dimethoxyphenyl)-2-(4-propoxyanilino)acetamide
CID 54820345
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 2452955
N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
CID 108940714
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide (CID 123123377) is N-(2,5-dimethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide is CCCOc1c[nH]c(CS(=O)CC(=O)Nc2cc(OC)ccc2OC)cc1=O.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide?
The InChIKey is UDQZUHBTIHGFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-4-7-27-18-10-20-13(8-16(18)22)11-28(24)12-19(23)21-15-9-14(25-2)5-6-17(15)26-3/h5-6,8-10H,4,7,11-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 2.07, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide is sourced from PubChem (CID 123123377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).