N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-6-yl]-N-[[2-(1H-indol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide

C33H26FN5O3S2 — CID 57415216

About N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-6-yl]-N-[[2-(1H-indol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide

N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-6-yl]-N-[[2-(1H-indol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide (PubChem CID 57415216) has the molecular formula C33H26FN5O3S2 and a molecular weight of 623.74 g/mol. Its IUPAC name is N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-6-yl]-N-[[2-(1H-indol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-6-yl]-N-[[2-(1H-indol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide
• PubChem CID: 57415216
• Molecular Formula: C33H26FN5O3S2
• Molecular Weight: 623.74 g/mol
• Exact Mass: 623.15
• IUPAC Name: N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-6-yl]-N-[[2-(1H-indol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide
• SMILES: CS(=O)(=O)N(Cc1cnc(-c2ccc3[nH]ccc3c2)s1)c1cc2oc(-c3ccc(F)cc3)c(-c3ncc[nH]3)c2cc1C1CC1
• InChI: InChI=1S/C33H26FN5O3S2/c1-44(40,41)39(18-24-17-38-33(43-24)22-6-9-27-21(14-22)10-11-35-27)28-16-29-26(15-25(28)19-2-3-19)30(32-36-12-13-37-32)31(42-29)20-4-7-23(34)8-5-20/h4-17,19,35H,2-3,18H2,1H3,(H,36,37)
• InChIKey: PZGJJSUULJPVEP-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 107.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.74
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-6-yl]-N-[[2-(1H-indol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide?

The IUPAC name of N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-6-yl]-N-[[2-(1H-indol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide (CID 57415216) is N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-6-yl]-N-[[2-(1H-indol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide.

What is the SMILES notation for N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-6-yl]-N-[[2-(1H-indol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide?

The canonical SMILES for N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-6-yl]-N-[[2-(1H-indol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide is CS(=O)(=O)N(Cc1cnc(-c2ccc3[nH]ccc3c2)s1)c1cc2oc(-c3ccc(F)cc3)c(-c3ncc[nH]3)c2cc1C1CC1.

What is the InChIKey of N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-6-yl]-N-[[2-(1H-indol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide?

The InChIKey is PZGJJSUULJPVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26FN5O3S2/c1-44(40,41)39(18-24-17-38-33(43-24)22-6-9-27-21(14-22)10-11-35-27)28-16-29-26(15-25(28)19-2-3-19)30(32-36-12-13-37-32)31(42-29)20-4-7-23(34)8-5-20/h4-17,19,35H,2-3,18H2,1H3,(H,36,37).

What are the key properties of N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-6-yl]-N-[[2-(1H-indol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide?

N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-6-yl]-N-[[2-(1H-indol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide has a molecular weight of 623.74 g/mol, XLogP of 8.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-6-yl]-N-[[2-(1H-indol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 57415216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).