5-(cyclopropylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide

C23H27N3O6S — CID 43053115

About 5-(cyclopropylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide

5-(cyclopropylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide (PubChem CID 43053115) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide.

Molecular Properties

• Compound Name: 5-(cyclopropylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide
• PubChem CID: 43053115
• Molecular Formula: C23H27N3O6S
• Molecular Weight: 473.55 g/mol
• Exact Mass: 473.16
• IUPAC Name: 5-(cyclopropylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide
• SMILES: CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C
• InChI: InChI=1S/C23H27N3O6S/c1-3-26(14-22(27)24-17-7-9-20-21(12-17)32-11-10-31-20)23(28)19-13-18(8-4-15(19)2)33(29,30)25-16-5-6-16/h4,7-9,12-13,16,25H,3,5-6,10-11,14H2,1-2H3,(H,24,27)
• InChIKey: QXQGYKWNXDDESC-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 114.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.55
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide?

The IUPAC name of 5-(cyclopropylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide (CID 43053115) is 5-(cyclopropylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide.

What is the SMILES notation for 5-(cyclopropylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide?

The canonical SMILES for 5-(cyclopropylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide is CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C.

What is the InChIKey of 5-(cyclopropylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide?

The InChIKey is QXQGYKWNXDDESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-3-26(14-22(27)24-17-7-9-20-21(12-17)32-11-10-31-20)23(28)19-13-18(8-4-15(19)2)33(29,30)25-16-5-6-16/h4,7-9,12-13,16,25H,3,5-6,10-11,14H2,1-2H3,(H,24,27).

What are the key properties of 5-(cyclopropylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide?

5-(cyclopropylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide has a molecular weight of 473.55 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopropylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide is sourced from PubChem (CID 43053115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).