N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide

C29H23N5O2S — CID 134137011

About N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide

N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide (PubChem CID 134137011) has the molecular formula C29H23N5O2S and a molecular weight of 505.60 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide.

Molecular Properties

• Compound Name: N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
• PubChem CID: 134137011
• Molecular Formula: C29H23N5O2S
• Molecular Weight: 505.60 g/mol
• Exact Mass: 505.16
• IUPAC Name: N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
• SMILES: CC(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1
• InChI: InChI=1S/C29H23N5O2S/c1-19(35)31-21-8-6-9-22(17-21)32-29(36)25-10-2-3-11-28(25)37-23-13-14-24-26(33-34-27(24)18-23)15-12-20-7-4-5-16-30-20/h2-18H,1H3,(H,31,35)(H,32,36)(H,33,34)/b15-12+
• InChIKey: NPTCHQDMFPCBNT-NTCAYCPXSA-N
• XLogP: 6.49
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.60
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide?

The IUPAC name of N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide (CID 134137011) is N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide.

What is the SMILES notation for N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide?

The canonical SMILES for N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide is CC(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1.

What is the InChIKey of N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide?

The InChIKey is NPTCHQDMFPCBNT-NTCAYCPXSA-N. The full InChI is InChI=1S/C29H23N5O2S/c1-19(35)31-21-8-6-9-22(17-21)32-29(36)25-10-2-3-11-28(25)37-23-13-14-24-26(33-34-27(24)18-23)15-12-20-7-4-5-16-30-20/h2-18H,1H3,(H,31,35)(H,32,36)(H,33,34)/b15-12+.

What are the key properties of N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide?

N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide has a molecular weight of 505.60 g/mol, XLogP of 6.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide is sourced from PubChem (CID 134137011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).