N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide

C27H32N2O5S — CID 51966640

About N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide

N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide (PubChem CID 51966640) has the molecular formula C27H32N2O5S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide.

Molecular Properties

• Compound Name: N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
• PubChem CID: 51966640
• Molecular Formula: C27H32N2O5S
• Molecular Weight: 496.63 g/mol
• Exact Mass: 496.20
• IUPAC Name: N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
• SMILES: CCC(CC)[C@@H](NC(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(OC)c1)c1cccs1
• InChI: InChI=1S/C27H32N2O5S/c1-5-18(6-2)26(24-12-9-15-35-24)29-27(31)19-13-14-22(23(16-19)33-4)34-17-25(30)28-20-10-7-8-11-21(20)32-3/h7-16,18,26H,5-6,17H2,1-4H3,(H,28,30)(H,29,31)/t26-/m1/s1
• InChIKey: NUHHKPIRYWFEFX-AREMUKBSSA-N
• XLogP: 5.69
• TPSA: 85.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.63
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?

The IUPAC name of N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide (CID 51966640) is N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide.

What is the SMILES notation for N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?

The canonical SMILES for N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide is CCC(CC)[C@@H](NC(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(OC)c1)c1cccs1.

What is the InChIKey of N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?

The InChIKey is NUHHKPIRYWFEFX-AREMUKBSSA-N. The full InChI is InChI=1S/C27H32N2O5S/c1-5-18(6-2)26(24-12-9-15-35-24)29-27(31)19-13-14-22(23(16-19)33-4)34-17-25(30)28-20-10-7-8-11-21(20)32-3/h7-16,18,26H,5-6,17H2,1-4H3,(H,28,30)(H,29,31)/t26-/m1/s1.

What are the key properties of N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?

N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide has a molecular weight of 496.63 g/mol, XLogP of 5.69, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 51966640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).