N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide

C15H17N3O3S2 — CID 92969218

About N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide

N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 92969218) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 92969218
• Molecular Formula: C15H17N3O3S2
• Molecular Weight: 351.45 g/mol
• Exact Mass: 351.07
• IUPAC Name: N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1
• InChI: InChI=1S/C15H17N3O3S2/c1-9-6-12-7-11(4-5-14(12)18(9)23(3,20)21)13-8-22-15(17-13)16-10(2)19/h4-5,7-9H,6H2,1-3H3,(H,16,17,19)/t9-/m0/s1
• InChIKey: QYUOZZAYHGLHNF-VIFPVBQESA-N
• XLogP: 2.48
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.45
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide (CID 92969218) is N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1.

What is the InChIKey of N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is QYUOZZAYHGLHNF-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-9-6-12-7-11(4-5-14(12)18(9)23(3,20)21)13-8-22-15(17-13)16-10(2)19/h4-5,7-9H,6H2,1-3H3,(H,16,17,19)/t9-/m0/s1.

What are the key properties of N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?

N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 92969218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).