(2S)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

C28H25N3O6S2 — CID 129227612

About (2S)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

(2S)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 129227612) has the molecular formula C28H25N3O6S2 and a molecular weight of 563.66 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: (2S)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 129227612
• Molecular Formula: C28H25N3O6S2
• Molecular Weight: 563.66 g/mol
• Exact Mass: 563.12
• IUPAC Name: (2S)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
• SMILES: COc1cccc([C@H](NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C(=O)N(Cc2ccco2)Cc2cccs2)c1
• InChI: InChI=1S/C28H25N3O6S2/c1-36-21-6-2-5-20(15-21)27(28(33)31(17-22-7-3-13-37-22)18-23-8-4-14-38-23)30-39(34,35)24-10-11-25-19(16-24)9-12-26(32)29-25/h2-16,27,30H,17-18H2,1H3,(H,29,32)/t27-/m0/s1
• InChIKey: TZYHYGODVSZZDN-MHZLTWQESA-N
• XLogP: 4.44
• 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	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 129227612) is (2S)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is COc1cccc([C@H](NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C(=O)N(Cc2ccco2)Cc2cccs2)c1.

What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is TZYHYGODVSZZDN-MHZLTWQESA-N. The full InChI is InChI=1S/C28H25N3O6S2/c1-36-21-6-2-5-20(15-21)27(28(33)31(17-22-7-3-13-37-22)18-23-8-4-14-38-23)30-39(34,35)24-10-11-25-19(16-24)9-12-26(32)29-25/h2-16,27,30H,17-18H2,1H3,(H,29,32)/t27-/m0/s1.

What are the key properties of (2S)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?

(2S)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 563.66 g/mol, XLogP of 4.44, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 129227612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).