carbon dioxide;(2S)-N-ethyl-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

C26H25N3O7S2 — CID 163751200

About carbon dioxide;(2S)-N-ethyl-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

carbon dioxide;(2S)-N-ethyl-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 163751200) has the molecular formula C26H25N3O7S2 and a molecular weight of 555.63 g/mol. Its IUPAC name is carbon dioxide;(2S)-N-ethyl-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: carbon dioxide;(2S)-N-ethyl-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 163751200
• Molecular Formula: C26H25N3O7S2
• Molecular Weight: 555.63 g/mol
• Exact Mass: 555.11
• IUPAC Name: carbon dioxide;(2S)-N-ethyl-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
• SMILES: CCN(Cc1cccs1)C(=O)[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1OC.O=C=O
• InChI: InChI=1S/C25H25N3O5S2.CO2/c1-3-28(16-18-7-6-14-34-18)25(30)24(20-8-4-5-9-22(20)33-2)27-35(31,32)19-11-12-21-17(15-19)10-13-23(29)26-21;2-1-3/h4-15,24,27H,3,16H2,1-2H3,(H,26,29);/t24-;/m0./s1
• InChIKey: LQCNOXXPJQGNPR-JIDHJSLPSA-N
• XLogP: 3.08
• TPSA: 142.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.63
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of carbon dioxide;(2S)-N-ethyl-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 163751200) is carbon dioxide;(2S)-N-ethyl-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.

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

The canonical SMILES for carbon dioxide;(2S)-N-ethyl-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is CCN(Cc1cccs1)C(=O)[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1OC.O=C=O.

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

The InChIKey is LQCNOXXPJQGNPR-JIDHJSLPSA-N. The full InChI is InChI=1S/C25H25N3O5S2.CO2/c1-3-28(16-18-7-6-14-34-18)25(30)24(20-8-4-5-9-22(20)33-2)27-35(31,32)19-11-12-21-17(15-19)10-13-23(29)26-21;2-1-3/h4-15,24,27H,3,16H2,1-2H3,(H,26,29);/t24-;/m0./s1.

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

carbon dioxide;(2S)-N-ethyl-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 555.63 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;(2S)-N-ethyl-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 163751200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).