3-methoxy-N-(2-methylphenyl)sulfonyl-4-[[5-[4-oxo-4-(propan-2-ylamino)butyl]-1-propylindol-3-yl]methyl]benzamide

C34H41N3O5S — CID 14882628

About 3-methoxy-N-(2-methylphenyl)sulfonyl-4-[[5-[4-oxo-4-(propan-2-ylamino)butyl]-1-propylindol-3-yl]methyl]benzamide

3-methoxy-N-(2-methylphenyl)sulfonyl-4-[[5-[4-oxo-4-(propan-2-ylamino)butyl]-1-propylindol-3-yl]methyl]benzamide (PubChem CID 14882628) has the molecular formula C34H41N3O5S and a molecular weight of 603.79 g/mol. Its IUPAC name is 3-methoxy-N-(2-methylphenyl)sulfonyl-4-[[5-[4-oxo-4-(propan-2-ylamino)butyl]-1-propylindol-3-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-(2-methylphenyl)sulfonyl-4-[[5-[4-oxo-4-(propan-2-ylamino)butyl]-1-propylindol-3-yl]methyl]benzamide
• PubChem CID: 14882628
• Molecular Formula: C34H41N3O5S
• Molecular Weight: 603.79 g/mol
• Exact Mass: 603.28
• IUPAC Name: 3-methoxy-N-(2-methylphenyl)sulfonyl-4-[[5-[4-oxo-4-(propan-2-ylamino)butyl]-1-propylindol-3-yl]methyl]benzamide
• SMILES: CCCn1cc(Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3C)cc2OC)c2cc(CCCC(=O)NC(C)C)ccc21
• InChI: InChI=1S/C34H41N3O5S/c1-6-18-37-22-28(29-19-25(14-17-30(29)37)11-9-13-33(38)35-23(2)3)20-26-15-16-27(21-31(26)42-5)34(39)36-43(40,41)32-12-8-7-10-24(32)4/h7-8,10,12,14-17,19,21-23H,6,9,11,13,18,20H2,1-5H3,(H,35,38)(H,36,39)
• InChIKey: VOQZKSFDFIOTLM-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 106.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.79
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methylphenyl)sulfonyl-4-[[5-[4-oxo-4-(propan-2-ylamino)butyl]-1-propylindol-3-yl]methyl]benzamide?

The IUPAC name of 3-methoxy-N-(2-methylphenyl)sulfonyl-4-[[5-[4-oxo-4-(propan-2-ylamino)butyl]-1-propylindol-3-yl]methyl]benzamide (CID 14882628) is 3-methoxy-N-(2-methylphenyl)sulfonyl-4-[[5-[4-oxo-4-(propan-2-ylamino)butyl]-1-propylindol-3-yl]methyl]benzamide.

What is the SMILES notation for 3-methoxy-N-(2-methylphenyl)sulfonyl-4-[[5-[4-oxo-4-(propan-2-ylamino)butyl]-1-propylindol-3-yl]methyl]benzamide?

The canonical SMILES for 3-methoxy-N-(2-methylphenyl)sulfonyl-4-[[5-[4-oxo-4-(propan-2-ylamino)butyl]-1-propylindol-3-yl]methyl]benzamide is CCCn1cc(Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3C)cc2OC)c2cc(CCCC(=O)NC(C)C)ccc21.

What is the InChIKey of 3-methoxy-N-(2-methylphenyl)sulfonyl-4-[[5-[4-oxo-4-(propan-2-ylamino)butyl]-1-propylindol-3-yl]methyl]benzamide?

The InChIKey is VOQZKSFDFIOTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N3O5S/c1-6-18-37-22-28(29-19-25(14-17-30(29)37)11-9-13-33(38)35-23(2)3)20-26-15-16-27(21-31(26)42-5)34(39)36-43(40,41)32-12-8-7-10-24(32)4/h7-8,10,12,14-17,19,21-23H,6,9,11,13,18,20H2,1-5H3,(H,35,38)(H,36,39).

What are the key properties of 3-methoxy-N-(2-methylphenyl)sulfonyl-4-[[5-[4-oxo-4-(propan-2-ylamino)butyl]-1-propylindol-3-yl]methyl]benzamide?

3-methoxy-N-(2-methylphenyl)sulfonyl-4-[[5-[4-oxo-4-(propan-2-ylamino)butyl]-1-propylindol-3-yl]methyl]benzamide has a molecular weight of 603.79 g/mol, XLogP of 5.93, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-(2-methylphenyl)sulfonyl-4-[[5-[4-oxo-4-(propan-2-ylamino)butyl]-1-propylindol-3-yl]methyl]benzamide is sourced from PubChem (CID 14882628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).