sodium;hydride;N-(4-methylphenyl)sulfonyl-2-[4-[[4-oxo-5-[[3-phenylmethoxy-4-(tetrazol-1-yl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide

C33H28N7NaO5S2 — CID 173122627

About sodium;hydride;N-(4-methylphenyl)sulfonyl-2-[4-[[4-oxo-5-[[3-phenylmethoxy-4-(tetrazol-1-yl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide

sodium;hydride;N-(4-methylphenyl)sulfonyl-2-[4-[[4-oxo-5-[[3-phenylmethoxy-4-(tetrazol-1-yl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (PubChem CID 173122627) has the molecular formula C33H28N7NaO5S2 and a molecular weight of 689.76 g/mol. Its IUPAC name is sodium;hydride;N-(4-methylphenyl)sulfonyl-2-[4-[[4-oxo-5-[[3-phenylmethoxy-4-(tetrazol-1-yl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.

Molecular Properties

• Compound Name: sodium;hydride;N-(4-methylphenyl)sulfonyl-2-[4-[[4-oxo-5-[[3-phenylmethoxy-4-(tetrazol-1-yl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
• PubChem CID: 173122627
• Molecular Formula: C33H28N7NaO5S2
• Molecular Weight: 689.76 g/mol
• Exact Mass: 689.15
• IUPAC Name: sodium;hydride;N-(4-methylphenyl)sulfonyl-2-[4-[[4-oxo-5-[[3-phenylmethoxy-4-(tetrazol-1-yl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
• SMILES: Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(/N=C3/NC(=O)C(=Cc4ccc(-n5cnnn5)c(OCc5ccccc5)c4)S3)cc2)cc1.[H-].[Na+]
• InChI: InChI=1S/C33H27N7O5S2.Na.H/c1-22-7-14-27(15-8-22)47(43,44)37-31(41)19-23-9-12-26(13-10-23)35-33-36-32(42)30(46-33)18-25-11-16-28(40-21-34-38-39-40)29(17-25)45-20-24-5-3-2-4-6-24;;/h2-18,21H,19-20H2,1H3,(H,37,41)(H,35,36,42);;/q;+1;-1
• InChIKey: LHTNNHBELIOOBJ-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 157.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.76
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;N-(4-methylphenyl)sulfonyl-2-[4-[[4-oxo-5-[[3-phenylmethoxy-4-(tetrazol-1-yl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?

The IUPAC name of sodium;hydride;N-(4-methylphenyl)sulfonyl-2-[4-[[4-oxo-5-[[3-phenylmethoxy-4-(tetrazol-1-yl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (CID 173122627) is sodium;hydride;N-(4-methylphenyl)sulfonyl-2-[4-[[4-oxo-5-[[3-phenylmethoxy-4-(tetrazol-1-yl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.

What is the SMILES notation for sodium;hydride;N-(4-methylphenyl)sulfonyl-2-[4-[[4-oxo-5-[[3-phenylmethoxy-4-(tetrazol-1-yl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?

The canonical SMILES for sodium;hydride;N-(4-methylphenyl)sulfonyl-2-[4-[[4-oxo-5-[[3-phenylmethoxy-4-(tetrazol-1-yl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(/N=C3/NC(=O)C(=Cc4ccc(-n5cnnn5)c(OCc5ccccc5)c4)S3)cc2)cc1.[H-].[Na+].

What is the InChIKey of sodium;hydride;N-(4-methylphenyl)sulfonyl-2-[4-[[4-oxo-5-[[3-phenylmethoxy-4-(tetrazol-1-yl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?

The InChIKey is LHTNNHBELIOOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N7O5S2.Na.H/c1-22-7-14-27(15-8-22)47(43,44)37-31(41)19-23-9-12-26(13-10-23)35-33-36-32(42)30(46-33)18-25-11-16-28(40-21-34-38-39-40)29(17-25)45-20-24-5-3-2-4-6-24;;/h2-18,21H,19-20H2,1H3,(H,37,41)(H,35,36,42);;/q;+1;-1.

What are the key properties of sodium;hydride;N-(4-methylphenyl)sulfonyl-2-[4-[[4-oxo-5-[[3-phenylmethoxy-4-(tetrazol-1-yl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?

sodium;hydride;N-(4-methylphenyl)sulfonyl-2-[4-[[4-oxo-5-[[3-phenylmethoxy-4-(tetrazol-1-yl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide has a molecular weight of 689.76 g/mol, XLogP of 1.61, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;hydride;N-(4-methylphenyl)sulfonyl-2-[4-[[4-oxo-5-[[3-phenylmethoxy-4-(tetrazol-1-yl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is sourced from PubChem (CID 173122627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).