N-(4-methoxyphenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide

C16H17N3O4S — CID 24793487

IUPACN-(4-methoxyphenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide
SMILESCOc1ccc(NC(=O)CS(=O)CC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H17N3O4S/c1-23-14-6-4-12(5-7-14)18-15(20)10-24(22)11-16(21)19-13-3-2-8-17-9-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyZIZIWQWVXLSWTR-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.42
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide

N-(4-methoxyphenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide (PubChem CID 24793487) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide
PubChem CID24793487
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-(4-methoxyphenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide
SMILESCOc1ccc(NC(=O)CS(=O)CC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H17N3O4S/c1-23-14-6-4-12(5-7-14)18-15(20)10-24(22)11-16(21)19-13-3-2-8-17-9-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyZIZIWQWVXLSWTR-UHFFFAOYSA-N
XLogP1.42
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide (CID 24793487) is N-(4-methoxyphenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide is COc1ccc(NC(=O)CS(=O)CC(=O)Nc2cccnc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide?
The InChIKey is ZIZIWQWVXLSWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-23-14-6-4-12(5-7-14)18-15(20)10-24(22)11-16(21)19-13-3-2-8-17-9-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide?
N-(4-methoxyphenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide has a molecular weight of 347.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinylacetamide is sourced from PubChem (CID 24793487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).