(3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide

C27H25N5O4S2 — CID 164530799

About (3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide

(3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide (PubChem CID 164530799) has the molecular formula C27H25N5O4S2 and a molecular weight of 547.66 g/mol. Its IUPAC name is (3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide.

Molecular Properties

• Compound Name: (3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide
• PubChem CID: 164530799
• Molecular Formula: C27H25N5O4S2
• Molecular Weight: 547.66 g/mol
• Exact Mass: 547.13
• IUPAC Name: (3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide
• SMILES: O=C(C[C@@H](Cc1ccc2ccccc2c1)n1cc(CNS(=O)(=O)c2ccc(-c3ccccc3)s2)nn1)NO
• InChI: InChI=1S/C27H25N5O4S2/c33-26(30-34)16-24(15-19-10-11-20-6-4-5-9-22(20)14-19)32-18-23(29-31-32)17-28-38(35,36)27-13-12-25(37-27)21-7-2-1-3-8-21/h1-14,18,24,28,34H,15-17H2,(H,30,33)/t24-/m1/s1
• InChIKey: DCRMODRXEZHGOZ-XMMPIXPASA-N
• XLogP: 4.32
• TPSA: 126.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.66
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide?

The IUPAC name of (3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide (CID 164530799) is (3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide.

What is the SMILES notation for (3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide?

The canonical SMILES for (3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide is O=C(C[C@@H](Cc1ccc2ccccc2c1)n1cc(CNS(=O)(=O)c2ccc(-c3ccccc3)s2)nn1)NO.

What is the InChIKey of (3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide?

The InChIKey is DCRMODRXEZHGOZ-XMMPIXPASA-N. The full InChI is InChI=1S/C27H25N5O4S2/c33-26(30-34)16-24(15-19-10-11-20-6-4-5-9-22(20)14-19)32-18-23(29-31-32)17-28-38(35,36)27-13-12-25(37-27)21-7-2-1-3-8-21/h1-14,18,24,28,34H,15-17H2,(H,30,33)/t24-/m1/s1.

What are the key properties of (3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide?

(3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide has a molecular weight of 547.66 g/mol, XLogP of 4.32, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide is sourced from PubChem (CID 164530799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).