2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide

C28H31N3O4S — CID 20856198

About 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide

2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide (PubChem CID 20856198) has the molecular formula C28H31N3O4S and a molecular weight of 505.64 g/mol. Its IUPAC name is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide
• PubChem CID: 20856198
• Molecular Formula: C28H31N3O4S
• Molecular Weight: 505.64 g/mol
• Exact Mass: 505.20
• IUPAC Name: 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide
• SMILES: CC(=O)N1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCCc3cccc(C)c3)ccc21
• InChI: InChI=1S/C28H31N3O4S/c1-20-7-6-10-23(17-20)13-15-29-28(33)26(18-22-8-4-3-5-9-22)30-36(34,35)25-11-12-27-24(19-25)14-16-31(27)21(2)32/h3-12,17,19,26,30H,13-16,18H2,1-2H3,(H,29,33)
• InChIKey: JWRUJZKPWHWVJM-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 95.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.64
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide?

The IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide (CID 20856198) is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide.

What is the SMILES notation for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide?

The canonical SMILES for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide is CC(=O)N1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCCc3cccc(C)c3)ccc21.

What is the InChIKey of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide?

The InChIKey is JWRUJZKPWHWVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4S/c1-20-7-6-10-23(17-20)13-15-29-28(33)26(18-22-8-4-3-5-9-22)30-36(34,35)25-11-12-27-24(19-25)14-16-31(27)21(2)32/h3-12,17,19,26,30H,13-16,18H2,1-2H3,(H,29,33).

What are the key properties of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide?

2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide has a molecular weight of 505.64 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 20856198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).