5-chloro-N-[[6-(ethylcarbamoylsulfamoyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide

C22H26ClN3O7S — CID 18973615

About 5-chloro-N-[[6-(ethylcarbamoylsulfamoyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide

5-chloro-N-[[6-(ethylcarbamoylsulfamoyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide (PubChem CID 18973615) has the molecular formula C22H26ClN3O7S and a molecular weight of 511.98 g/mol. Its IUPAC name is 5-chloro-N-[[6-(ethylcarbamoylsulfamoyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[6-(ethylcarbamoylsulfamoyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide
• PubChem CID: 18973615
• Molecular Formula: C22H26ClN3O7S
• Molecular Weight: 511.98 g/mol
• Exact Mass: 511.12
• IUPAC Name: 5-chloro-N-[[6-(ethylcarbamoylsulfamoyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide
• SMILES: CCNC(=O)NS(=O)(=O)c1cc2c(cc1OC)OCCC2CNC(=O)c1cc(Cl)ccc1OC
• InChI: InChI=1S/C22H26ClN3O7S/c1-4-24-22(28)26-34(29,30)20-10-15-13(7-8-33-18(15)11-19(20)32-3)12-25-21(27)16-9-14(23)5-6-17(16)31-2/h5-6,9-11,13H,4,7-8,12H2,1-3H3,(H,25,27)(H2,24,26,28)
• InChIKey: UOBGEVAOUWVXIC-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 132.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.98
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[6-(ethylcarbamoylsulfamoyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide?

The IUPAC name of 5-chloro-N-[[6-(ethylcarbamoylsulfamoyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide (CID 18973615) is 5-chloro-N-[[6-(ethylcarbamoylsulfamoyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide.

What is the SMILES notation for 5-chloro-N-[[6-(ethylcarbamoylsulfamoyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide?

The canonical SMILES for 5-chloro-N-[[6-(ethylcarbamoylsulfamoyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide is CCNC(=O)NS(=O)(=O)c1cc2c(cc1OC)OCCC2CNC(=O)c1cc(Cl)ccc1OC.

What is the InChIKey of 5-chloro-N-[[6-(ethylcarbamoylsulfamoyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide?

The InChIKey is UOBGEVAOUWVXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O7S/c1-4-24-22(28)26-34(29,30)20-10-15-13(7-8-33-18(15)11-19(20)32-3)12-25-21(27)16-9-14(23)5-6-17(16)31-2/h5-6,9-11,13H,4,7-8,12H2,1-3H3,(H,25,27)(H2,24,26,28).

What are the key properties of 5-chloro-N-[[6-(ethylcarbamoylsulfamoyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide?

5-chloro-N-[[6-(ethylcarbamoylsulfamoyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide has a molecular weight of 511.98 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[6-(ethylcarbamoylsulfamoyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 18973615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).