3-methyl-6-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one

C24H27N3O5S — CID 95091625

About 3-methyl-6-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one

3-methyl-6-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one (PubChem CID 95091625) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is 3-methyl-6-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: 3-methyl-6-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
• PubChem CID: 95091625
• Molecular Formula: C24H27N3O5S
• Molecular Weight: 469.56 g/mol
• Exact Mass: 469.17
• IUPAC Name: 3-methyl-6-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
• SMILES: C[C@H]1Cc2ccccc2N1C(=O)CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1
• InChI: InChI=1S/C24H27N3O5S/c1-16-13-18-5-3-4-6-20(18)27(16)23(28)14-17-9-11-26(12-10-17)33(30,31)19-7-8-21-22(15-19)32-24(29)25(21)2/h3-8,15-17H,9-14H2,1-2H3/t16-/m0/s1
• InChIKey: FRWWXJKYKJGIMM-INIZCTEOSA-N
• XLogP: 2.90
• TPSA: 92.83 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.56
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one?

The IUPAC name of 3-methyl-6-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one (CID 95091625) is 3-methyl-6-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one.

What is the SMILES notation for 3-methyl-6-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one?

The canonical SMILES for 3-methyl-6-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one is C[C@H]1Cc2ccccc2N1C(=O)CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1.

What is the InChIKey of 3-methyl-6-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one?

The InChIKey is FRWWXJKYKJGIMM-INIZCTEOSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-16-13-18-5-3-4-6-20(18)27(16)23(28)14-17-9-11-26(12-10-17)33(30,31)19-7-8-21-22(15-19)32-24(29)25(21)2/h3-8,15-17H,9-14H2,1-2H3/t16-/m0/s1.

What are the key properties of 3-methyl-6-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one?

3-methyl-6-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one has a molecular weight of 469.56 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-6-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 95091625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).