2-(azetidin-1-yl)-N-[(1S)-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide

C25H30N4O4S — CID 139334948

About 2-(azetidin-1-yl)-N-[(1S)-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide

2-(azetidin-1-yl)-N-[(1S)-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide (PubChem CID 139334948) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-N-[(1S)-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide.

Molecular Properties

• Compound Name: 2-(azetidin-1-yl)-N-[(1S)-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide
• PubChem CID: 139334948
• Molecular Formula: C25H30N4O4S
• Molecular Weight: 482.61 g/mol
• Exact Mass: 482.20
• IUPAC Name: 2-(azetidin-1-yl)-N-[(1S)-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide
• SMILES: CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CCC3)no2)cc1
• InChI: InChI=1S/C25H30N4O4S/c1-17(2)32-19-9-7-18(8-10-19)25-26-24(27-33-25)22-6-3-5-21-20(22)11-12-23(21)28-34(30,31)16-15-29-13-4-14-29/h3,5-10,17,23,28H,4,11-16H2,1-2H3/t23-/m0/s1
• InChIKey: VYCRYKKINHGHBW-QHCPKHFHSA-N
• XLogP: 3.80
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.61
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-N-[(1S)-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide?

The IUPAC name of 2-(azetidin-1-yl)-N-[(1S)-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide (CID 139334948) is 2-(azetidin-1-yl)-N-[(1S)-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide.

What is the SMILES notation for 2-(azetidin-1-yl)-N-[(1S)-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide?

The canonical SMILES for 2-(azetidin-1-yl)-N-[(1S)-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CCC3)no2)cc1.

What is the InChIKey of 2-(azetidin-1-yl)-N-[(1S)-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide?

The InChIKey is VYCRYKKINHGHBW-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-17(2)32-19-9-7-18(8-10-19)25-26-24(27-33-25)22-6-3-5-21-20(22)11-12-23(21)28-34(30,31)16-15-29-13-4-14-29/h3,5-10,17,23,28H,4,11-16H2,1-2H3/t23-/m0/s1.

What are the key properties of 2-(azetidin-1-yl)-N-[(1S)-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide?

2-(azetidin-1-yl)-N-[(1S)-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide has a molecular weight of 482.61 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(azetidin-1-yl)-N-[(1S)-4-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide is sourced from PubChem (CID 139334948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).