N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide

C24H23N3O2S — CID 7405771

About N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide

N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 7405771) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide
• PubChem CID: 7405771
• Molecular Formula: C24H23N3O2S
• Molecular Weight: 417.53 g/mol
• Exact Mass: 417.15
• IUPAC Name: N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide
• SMILES: C[C@@H]1Cc2cc(-c3csc(NC(=O)Cc4ccccc4)n3)ccc2N1C(=O)C1CC1
• InChI: InChI=1S/C24H23N3O2S/c1-15-11-19-13-18(9-10-21(19)27(15)23(29)17-7-8-17)20-14-30-24(25-20)26-22(28)12-16-5-3-2-4-6-16/h2-6,9-10,13-15,17H,7-8,11-12H2,1H3,(H,25,26,28)/t15-/m1/s1
• InChIKey: OVEASSMFBRAFNB-OAHLLOKOSA-N
• XLogP: 4.68
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.53
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide?

The IUPAC name of N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide (CID 7405771) is N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide.

What is the SMILES notation for N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide?

The canonical SMILES for N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide is C[C@@H]1Cc2cc(-c3csc(NC(=O)Cc4ccccc4)n3)ccc2N1C(=O)C1CC1.

What is the InChIKey of N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide?

The InChIKey is OVEASSMFBRAFNB-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-15-11-19-13-18(9-10-21(19)27(15)23(29)17-7-8-17)20-14-30-24(25-20)26-22(28)12-16-5-3-2-4-6-16/h2-6,9-10,13-15,17H,7-8,11-12H2,1H3,(H,25,26,28)/t15-/m1/s1.

What are the key properties of N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide?

N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 417.53 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 7405771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).