methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate

C26H25N3O7S2 — CID 146014494

About methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate

methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate (PubChem CID 146014494) has the molecular formula C26H25N3O7S2 and a molecular weight of 555.63 g/mol. Its IUPAC name is methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate
• PubChem CID: 146014494
• Molecular Formula: C26H25N3O7S2
• Molecular Weight: 555.63 g/mol
• Exact Mass: 555.11
• IUPAC Name: methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate
• SMILES: COC(=O)CN(Cc1cccs1)C(=O)[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1OC
• InChI: InChI=1S/C26H25N3O7S2/c1-35-22-8-4-3-7-20(22)25(26(32)29(16-24(31)36-2)15-18-6-5-13-37-18)28-38(33,34)19-10-11-21-17(14-19)9-12-23(30)27-21/h3-14,25,28H,15-16H2,1-2H3,(H,27,30)/t25-/m1/s1
• InChIKey: ACLDUOSWRUIOSB-RUZDIDTESA-N
• XLogP: 2.82
• TPSA: 134.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.63
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate?

The IUPAC name of methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate (CID 146014494) is methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate.

What is the SMILES notation for methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate?

The canonical SMILES for methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate is COC(=O)CN(Cc1cccs1)C(=O)[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1OC.

What is the InChIKey of methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate?

The InChIKey is ACLDUOSWRUIOSB-RUZDIDTESA-N. The full InChI is InChI=1S/C26H25N3O7S2/c1-35-22-8-4-3-7-20(22)25(26(32)29(16-24(31)36-2)15-18-6-5-13-37-18)28-38(33,34)19-10-11-21-17(14-19)9-12-23(30)27-21/h3-14,25,28H,15-16H2,1-2H3,(H,27,30)/t25-/m1/s1.

What are the key properties of methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate?

methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate has a molecular weight of 555.63 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate is sourced from PubChem (CID 146014494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).