N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide

C25H20N4O4S2 — CID 10323853

About N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide (PubChem CID 10323853) has the molecular formula C25H20N4O4S2 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide
• PubChem CID: 10323853
• Molecular Formula: C25H20N4O4S2
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.09
• IUPAC Name: N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide
• SMILES: Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2ccc(-c3ccon3)s2)c1
• InChI: InChI=1S/C25H20N4O4S2/c1-15-2-3-17(25(30)27-19-5-6-19)13-20(15)16-4-7-22-18(12-16)14-26-29(22)35(31,32)24-9-8-23(34-24)21-10-11-33-28-21/h2-4,7-14,19H,5-6H2,1H3,(H,27,30)
• InChIKey: DLHYZCUGJXCANH-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 107.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide?

The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide (CID 10323853) is N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide.

What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide?

The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2ccc(-c3ccon3)s2)c1.

What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide?

The InChIKey is DLHYZCUGJXCANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4S2/c1-15-2-3-17(25(30)27-19-5-6-19)13-20(15)16-4-7-22-18(12-16)14-26-29(22)35(31,32)24-9-8-23(34-24)21-10-11-33-28-21/h2-4,7-14,19H,5-6H2,1H3,(H,27,30).

What are the key properties of N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide?

N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide has a molecular weight of 504.59 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide is sourced from PubChem (CID 10323853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).