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

C20H21N3O4S2 — CID 33405157

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

N-(furan-2-ylmethyl)-2-[4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 33405157) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2-[4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 33405157
• Molecular Formula: C20H21N3O4S2
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.10
• IUPAC Name: N-(furan-2-ylmethyl)-2-[4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
• SMILES: C[C@@H]1Cc2cc(-c3csc(CC(=O)NCc4ccco4)n3)ccc2N1S(C)(=O)=O
• InChI: InChI=1S/C20H21N3O4S2/c1-13-8-15-9-14(5-6-18(15)23(13)29(2,25)26)17-12-28-20(22-17)10-19(24)21-11-16-4-3-7-27-16/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,21,24)/t13-/m1/s1
• InChIKey: PQDNWCDSXKZMRV-CYBMUJFWSA-N
• XLogP: 2.97
• TPSA: 92.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(furan-2-ylmethyl)-2-[4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide (CID 33405157) is N-(furan-2-ylmethyl)-2-[4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide.

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

The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide is C[C@@H]1Cc2cc(-c3csc(CC(=O)NCc4ccco4)n3)ccc2N1S(C)(=O)=O.

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

The InChIKey is PQDNWCDSXKZMRV-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-13-8-15-9-14(5-6-18(15)23(13)29(2,25)26)17-12-28-20(22-17)10-19(24)21-11-16-4-3-7-27-16/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,21,24)/t13-/m1/s1.

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

N-(furan-2-ylmethyl)-2-[4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2-[4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 33405157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).