N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-morpholin-4-ylsulfonylbenzamide

C24H21N3O6S — CID 3242885

IUPACN-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C24H21N3O6S/c1-15-14-20(25-22-18-4-2-3-5-19(18)33-24(29)21(15)22)26-23(28)16-6-8-17(9-7-16)34(30,31)27-10-12-32-13-11-27/h2-9,14H,10-13H2,1H3,(H,25,26,28)
InChIKeyDFQHYXIJNDNMDW-UHFFFAOYSA-N
MW479.51 g/mol
LogP2.92
Rot. Bonds4

About N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-morpholin-4-ylsulfonylbenzamide

N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 3242885) has the molecular formula C24H21N3O6S and a molecular weight of 479.51 g/mol. Its IUPAC name is N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID3242885
Molecular FormulaC24H21N3O6S
Molecular Weight479.51 g/mol
Exact Mass479.12
IUPAC NameN-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C24H21N3O6S/c1-15-14-20(25-22-18-4-2-3-5-19(18)33-24(29)21(15)22)26-23(28)16-6-8-17(9-7-16)34(30,31)27-10-12-32-13-11-27/h2-9,14H,10-13H2,1H3,(H,25,26,28)
InChIKeyDFQHYXIJNDNMDW-UHFFFAOYSA-N
XLogP2.92
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-morpholin-4-ylsulfonylbenzamide (CID 3242885) is N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-morpholin-4-ylsulfonylbenzamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2c1c(=O)oc1ccccc12.
What is the InChIKey of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DFQHYXIJNDNMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6S/c1-15-14-20(25-22-18-4-2-3-5-19(18)33-24(29)21(15)22)26-23(28)16-6-8-17(9-7-16)34(30,31)27-10-12-32-13-11-27/h2-9,14H,10-13H2,1H3,(H,25,26,28).
What are the key properties of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-morpholin-4-ylsulfonylbenzamide?
N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 479.51 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3242885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).