2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide

C22H27N3O4S — CID 92681437

About 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide

2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 92681437) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

• Compound Name: 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
• PubChem CID: 92681437
• Molecular Formula: C22H27N3O4S
• Molecular Weight: 429.54 g/mol
• Exact Mass: 429.17
• IUPAC Name: 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
• SMILES: C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)c1ccccc1
• InChI: InChI=1S/C22H27N3O4S/c1-15(16-9-7-6-8-10-16)23-20(26)14-24(4)30(28,29)17-11-12-19-18(13-17)22(2,3)21(27)25(19)5/h6-13,15H,14H2,1-5H3,(H,23,26)/t15-/m0/s1
• InChIKey: APBYIUVIXLKNHI-HNNXBMFYSA-N
• XLogP: 2.44
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.54
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?

The IUPAC name of 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide (CID 92681437) is 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide.

What is the SMILES notation for 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?

The canonical SMILES for 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)c1ccccc1.

What is the InChIKey of 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?

The InChIKey is APBYIUVIXLKNHI-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-15(16-9-7-6-8-10-16)23-20(26)14-24(4)30(28,29)17-11-12-19-18(13-17)22(2,3)21(27)25(19)5/h6-13,15H,14H2,1-5H3,(H,23,26)/t15-/m0/s1.

What are the key properties of 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide?

2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 429.54 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 92681437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).