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

C21H18N2O4S — CID 90466679

IUPACN-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)OCc2cnccc2-3)cc1
InChIInChI=1S/C21H18N2O4S/c1-28(25,26)17-5-2-14(3-6-17)10-21(24)23-16-4-7-19-18-8-9-22-12-15(18)13-27-20(19)11-16/h2-9,11-12H,10,13H2,1H3,(H,23,24)
InChIKeyZHGMTNMQZMJNHJ-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.23
Rot. Bonds4

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

N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 90466679) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfonylphenyl)acetamide
PubChem CID90466679
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC NameN-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)OCc2cnccc2-3)cc1
InChIInChI=1S/C21H18N2O4S/c1-28(25,26)17-5-2-14(3-6-17)10-21(24)23-16-4-7-19-18-8-9-22-12-15(18)13-27-20(19)11-16/h2-9,11-12H,10,13H2,1H3,(H,23,24)
InChIKeyZHGMTNMQZMJNHJ-UHFFFAOYSA-N
XLogP3.23
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfonylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfonylphenyl)acetamide (CID 90466679) is N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)OCc2cnccc2-3)cc1.
What is the InChIKey of N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is ZHGMTNMQZMJNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-28(25,26)17-5-2-14(3-6-17)10-21(24)23-16-4-7-19-18-8-9-22-12-15(18)13-27-20(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-methylsulfonylphenyl)acetamide?
N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 394.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 90466679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).