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

C19H24N2O4S — CID 123123388

IUPACN-(2,5-dimethylphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
SMILESCCCOc1c[nH]c(CS(=O)CC(=O)Nc2cc(C)ccc2C)cc1=O
InChIInChI=1S/C19H24N2O4S/c1-4-7-25-18-10-20-15(9-17(18)22)11-26(24)12-19(23)21-16-8-13(2)5-6-14(16)3/h5-6,8-10H,4,7,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCKLSXEAOLVKKRO-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.67
Rot. Bonds8

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

N-(2,5-dimethylphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide (PubChem CID 123123388) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
PubChem CID123123388
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-(2,5-dimethylphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
SMILESCCCOc1c[nH]c(CS(=O)CC(=O)Nc2cc(C)ccc2C)cc1=O
InChIInChI=1S/C19H24N2O4S/c1-4-7-25-18-10-20-15(9-17(18)22)11-26(24)12-19(23)21-16-8-13(2)5-6-14(16)3/h5-6,8-10H,4,7,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCKLSXEAOLVKKRO-UHFFFAOYSA-N
XLogP2.67
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 123123391
N-(4-methylphenyl)sulfonyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
CID 123123479
2-[[2-(4-methylphenyl)-2-oxoethyl]sulfinylmethyl]-5-propoxy-1H-pyridin-4-one
CID 123123574
N-butyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
CID 123123472
N-(2-methylpropyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
CID 123123474
2-[(4-methylphenyl)methylsulfinylmethyl]-5-propoxy-1H-pyridin-4-one
CID 123104840
2-[[2-(4-bromophenyl)-2-oxoethyl]sulfinylmethyl]-5-propoxy-1H-pyridin-4-one
CID 123123579
2-[[2-(1H-indol-3-yl)-2-oxoethyl]sulfinylmethyl]-5-propoxy-1H-pyridin-4-one
CID 123123586
methyl 4-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]butanoate
CID 123123593
ethyl 4-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinylmethyl]benzoate
CID 123109216
propyl 2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanoate
CID 123123498
N-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide
CID 110005608

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide (CID 123123388) is N-(2,5-dimethylphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide is CCCOc1c[nH]c(CS(=O)CC(=O)Nc2cc(C)ccc2C)cc1=O.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide?
The InChIKey is CKLSXEAOLVKKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-7-25-18-10-20-15(9-17(18)22)11-26(24)12-19(23)21-16-8-13(2)5-6-14(16)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-dimethylphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide?
N-(2,5-dimethylphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide is sourced from PubChem (CID 123123388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).