N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfanylphenyl)acetamide

C21H18N2O2S — CID 121363940

IUPACN-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)Nc2ccc3c(c2)OCc2cnccc2-3)cc1
InChIInChI=1S/C21H18N2O2S/c1-26-17-5-2-14(3-6-17)10-21(24)23-16-4-7-19-18-8-9-22-12-15(18)13-25-20(19)11-16/h2-9,11-12H,10,13H2,1H3,(H,23,24)
InChIKeyADUIKHXMDBYDAT-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.54
Rot. Bonds4

About N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfanylphenyl)acetamide

N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfanylphenyl)acetamide (PubChem CID 121363940) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfanylphenyl)acetamide
PubChem CID121363940
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)Nc2ccc3c(c2)OCc2cnccc2-3)cc1
InChIInChI=1S/C21H18N2O2S/c1-26-17-5-2-14(3-6-17)10-21(24)23-16-4-7-19-18-8-9-22-12-15(18)13-25-20(19)11-16/h2-9,11-12H,10,13H2,1H3,(H,23,24)
InChIKeyADUIKHXMDBYDAT-UHFFFAOYSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfanylphenyl)acetamide (CID 121363940) is N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfanylphenyl)acetamide is CSc1ccc(CC(=O)Nc2ccc3c(c2)OCc2cnccc2-3)cc1.
What is the InChIKey of N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfanylphenyl)acetamide?
The InChIKey is ADUIKHXMDBYDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-26-17-5-2-14(3-6-17)10-21(24)23-16-4-7-19-18-8-9-22-12-15(18)13-25-20(19)11-16/h2-9,11-12H,10,13H2,1H3,(H,23,24).
What are the key properties of N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfanylphenyl)acetamide?
N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfanylphenyl)acetamide has a molecular weight of 362.45 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 121363940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).