(2R)-N-(furan-2-ylmethyl)-2-methoxy-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide

C28H25N3O6S2 — CID 175157655

About (2R)-N-(furan-2-ylmethyl)-2-methoxy-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide

(2R)-N-(furan-2-ylmethyl)-2-methoxy-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 175157655) has the molecular formula C28H25N3O6S2 and a molecular weight of 563.66 g/mol. Its IUPAC name is (2R)-N-(furan-2-ylmethyl)-2-methoxy-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: (2R)-N-(furan-2-ylmethyl)-2-methoxy-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 175157655
• Molecular Formula: C28H25N3O6S2
• Molecular Weight: 563.66 g/mol
• Exact Mass: 563.12
• IUPAC Name: (2R)-N-(furan-2-ylmethyl)-2-methoxy-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide
• SMILES: CO[C@@](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)(C(=O)N(Cc1ccco1)Cc1cccs1)c1ccccc1
• InChI: InChI=1S/C28H25N3O6S2/c1-36-28(21-7-3-2-4-8-21,27(33)31(18-22-9-5-15-37-22)19-23-10-6-16-38-23)30-39(34,35)24-12-13-25-20(17-24)11-14-26(32)29-25/h2-17,30H,18-19H2,1H3,(H,29,32)/t28-/m1/s1
• InChIKey: HGQIBMFNRFCCEQ-MUUNZHRXSA-N
• XLogP: 4.19
• TPSA: 121.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.66
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-methoxy-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-methoxy-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide (CID 175157655) is (2R)-N-(furan-2-ylmethyl)-2-methoxy-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for (2R)-N-(furan-2-ylmethyl)-2-methoxy-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for (2R)-N-(furan-2-ylmethyl)-2-methoxy-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide is CO[C@@](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)(C(=O)N(Cc1ccco1)Cc1cccs1)c1ccccc1.

What is the InChIKey of (2R)-N-(furan-2-ylmethyl)-2-methoxy-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is HGQIBMFNRFCCEQ-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H25N3O6S2/c1-36-28(21-7-3-2-4-8-21,27(33)31(18-22-9-5-15-37-22)19-23-10-6-16-38-23)30-39(34,35)24-12-13-25-20(17-24)11-14-26(32)29-25/h2-17,30H,18-19H2,1H3,(H,29,32)/t28-/m1/s1.

What are the key properties of (2R)-N-(furan-2-ylmethyl)-2-methoxy-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide?

(2R)-N-(furan-2-ylmethyl)-2-methoxy-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 563.66 g/mol, XLogP of 4.19, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(furan-2-ylmethyl)-2-methoxy-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 175157655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).