3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide

C19H23N3O5S — CID 92687907

About 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide

3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 92687907) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
• PubChem CID: 92687907
• Molecular Formula: C19H23N3O5S
• Molecular Weight: 405.48 g/mol
• Exact Mass: 405.14
• IUPAC Name: 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
• SMILES: CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)NCc3ccco3)cc2C[C@@H]1C
• InChI: InChI=1S/C19H23N3O5S/c1-13-10-15-11-17(5-6-18(15)22(13)14(2)23)28(25,26)21-8-7-19(24)20-12-16-4-3-9-27-16/h3-6,9,11,13,21H,7-8,10,12H2,1-2H3,(H,20,24)/t13-/m0/s1
• InChIKey: USPKJZUUYZHFFK-ZDUSSCGKSA-N
• XLogP: 1.56
• TPSA: 108.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.48
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide?

The IUPAC name of 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide (CID 92687907) is 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide.

What is the SMILES notation for 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide?

The canonical SMILES for 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide is CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)NCc3ccco3)cc2C[C@@H]1C.

What is the InChIKey of 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide?

The InChIKey is USPKJZUUYZHFFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-13-10-15-11-17(5-6-18(15)22(13)14(2)23)28(25,26)21-8-7-19(24)20-12-16-4-3-9-27-16/h3-6,9,11,13,21H,7-8,10,12H2,1-2H3,(H,20,24)/t13-/m0/s1.

What are the key properties of 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide?

3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 405.48 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 92687907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).