N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide

C23H25N3O5S2 — CID 15995335

About N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (PubChem CID 15995335) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.

Molecular Properties

• Compound Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
• PubChem CID: 15995335
• Molecular Formula: C23H25N3O5S2
• Molecular Weight: 487.60 g/mol
• Exact Mass: 487.12
• IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
• SMILES: CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3nc4ccc(OC)cc4s3)cc2CC1C
• InChI: InChI=1S/C23H25N3O5S2/c1-4-22(28)26-14(2)11-15-12-17(6-8-19(15)26)33(29,30)10-9-21(27)25-23-24-18-7-5-16(31-3)13-20(18)32-23/h5-8,12-14H,4,9-11H2,1-3H3,(H,24,25,27)
• InChIKey: LAKMSUXGENXMOS-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 105.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.60
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?

The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (CID 15995335) is N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.

What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?

The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3nc4ccc(OC)cc4s3)cc2CC1C.

What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?

The InChIKey is LAKMSUXGENXMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-4-22(28)26-14(2)11-15-12-17(6-8-19(15)26)33(29,30)10-9-21(27)25-23-24-18-7-5-16(31-3)13-20(18)32-23/h5-8,12-14H,4,9-11H2,1-3H3,(H,24,25,27).

What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide has a molecular weight of 487.60 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is sourced from PubChem (CID 15995335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).