N-[(2S)-1,1-dicyclopropyl-3-[[(1E)-1-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydroinden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C32H38N6O4S — CID 177368542

About N-[(2S)-1,1-dicyclopropyl-3-[[(1E)-1-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydroinden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(2S)-1,1-dicyclopropyl-3-[[(1E)-1-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydroinden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 177368542) has the molecular formula C32H38N6O4S and a molecular weight of 602.76 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-3-[[(1E)-1-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydroinden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1,1-dicyclopropyl-3-[[(1E)-1-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydroinden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 177368542
• Molecular Formula: C32H38N6O4S
• Molecular Weight: 602.76 g/mol
• Exact Mass: 602.27
• IUPAC Name: N-[(2S)-1,1-dicyclopropyl-3-[[(1E)-1-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydroinden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)N/N=C2\CCc3cc(NC(=O)[C@@H](NC(=O)c4ccnn4C(C)C)C(C4CC4)C4CC4)ccc32)cc1
• InChI: InChI=1S/C32H38N6O4S/c1-19(2)38-28(16-17-33-38)31(39)35-30(29(21-6-7-21)22-8-9-22)32(40)34-24-11-14-26-23(18-24)10-15-27(26)36-37-43(41,42)25-12-4-20(3)5-13-25/h4-5,11-14,16-19,21-22,29-30,37H,6-10,15H2,1-3H3,(H,34,40)(H,35,39)/b36-27+/t30-/m0/s1
• InChIKey: ATZZMMPNGRCBDY-AMZBSMTLSA-N
• XLogP: 4.57
• TPSA: 134.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.76
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[(1E)-1-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydroinden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[(1E)-1-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydroinden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 177368542) is N-[(2S)-1,1-dicyclopropyl-3-[[(1E)-1-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydroinden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-1,1-dicyclopropyl-3-[[(1E)-1-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydroinden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1,1-dicyclopropyl-3-[[(1E)-1-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydroinden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is Cc1ccc(S(=O)(=O)N/N=C2\CCc3cc(NC(=O)[C@@H](NC(=O)c4ccnn4C(C)C)C(C4CC4)C4CC4)ccc32)cc1.

What is the InChIKey of N-[(2S)-1,1-dicyclopropyl-3-[[(1E)-1-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydroinden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is ATZZMMPNGRCBDY-AMZBSMTLSA-N. The full InChI is InChI=1S/C32H38N6O4S/c1-19(2)38-28(16-17-33-38)31(39)35-30(29(21-6-7-21)22-8-9-22)32(40)34-24-11-14-26-23(18-24)10-15-27(26)36-37-43(41,42)25-12-4-20(3)5-13-25/h4-5,11-14,16-19,21-22,29-30,37H,6-10,15H2,1-3H3,(H,34,40)(H,35,39)/b36-27+/t30-/m0/s1.

What are the key properties of N-[(2S)-1,1-dicyclopropyl-3-[[(1E)-1-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydroinden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

N-[(2S)-1,1-dicyclopropyl-3-[[(1E)-1-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydroinden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 602.76 g/mol, XLogP of 4.57, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1,1-dicyclopropyl-3-[[(1E)-1-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydroinden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 177368542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).