6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide

C31H26FN5O4S2 — CID 118573575

About 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide

6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide (PubChem CID 118573575) has the molecular formula C31H26FN5O4S2 and a molecular weight of 615.71 g/mol. Its IUPAC name is 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide
• PubChem CID: 118573575
• Molecular Formula: C31H26FN5O4S2
• Molecular Weight: 615.71 g/mol
• Exact Mass: 615.14
• IUPAC Name: 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide
• SMILES: CCS(=O)(=O)Nc1cc2oc(-c3cnc(C)s3)c(C(=O)NC)c2cc1-c1ccc2c(n1)-c1cc3c(F)cccc3n1CC2
• InChI: InChI=1S/C31H26FN5O4S2/c1-4-43(39,40)36-23-14-26-20(28(31(38)33-3)30(41-26)27-15-34-16(2)42-27)12-19(23)22-9-8-17-10-11-37-24-7-5-6-21(32)18(24)13-25(37)29(17)35-22/h5-9,12-15,36H,4,10-11H2,1-3H3,(H,33,38)
• InChIKey: XCEATYOKPVJLFH-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 119.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.71
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide?

The IUPAC name of 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide (CID 118573575) is 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide.

What is the SMILES notation for 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide?

The canonical SMILES for 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide is CCS(=O)(=O)Nc1cc2oc(-c3cnc(C)s3)c(C(=O)NC)c2cc1-c1ccc2c(n1)-c1cc3c(F)cccc3n1CC2.

What is the InChIKey of 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide?

The InChIKey is XCEATYOKPVJLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN5O4S2/c1-4-43(39,40)36-23-14-26-20(28(31(38)33-3)30(41-26)27-15-34-16(2)42-27)12-19(23)22-9-8-17-10-11-37-24-7-5-6-21(32)18(24)13-25(37)29(17)35-22/h5-9,12-15,36H,4,10-11H2,1-3H3,(H,33,38).

What are the key properties of 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide?

6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide has a molecular weight of 615.71 g/mol, XLogP of 6.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 118573575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).