N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide

C21H29N3O2S — CID 9126324

About N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide

N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide (PubChem CID 9126324) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide.

Molecular Properties

• Compound Name: N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
• PubChem CID: 9126324
• Molecular Formula: C21H29N3O2S
• Molecular Weight: 387.55 g/mol
• Exact Mass: 387.20
• IUPAC Name: N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
• SMILES: CNC(=O)CN(C)C(=O)CN[C@H](c1ccc(CC(C)C)cc1)c1cccs1
• InChI: InChI=1S/C21H29N3O2S/c1-15(2)12-16-7-9-17(10-8-16)21(18-6-5-11-27-18)23-13-20(26)24(4)14-19(25)22-3/h5-11,15,21,23H,12-14H2,1-4H3,(H,22,25)/t21-/m1/s1
• InChIKey: XUGGHXPWJPJTHX-OAQYLSRUSA-N
• XLogP: 2.83
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.55
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide?

The IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide (CID 9126324) is N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide.

What is the SMILES notation for N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide?

The canonical SMILES for N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide is CNC(=O)CN(C)C(=O)CN[C@H](c1ccc(CC(C)C)cc1)c1cccs1.

What is the InChIKey of N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide?

The InChIKey is XUGGHXPWJPJTHX-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-15(2)12-16-7-9-17(10-8-16)21(18-6-5-11-27-18)23-13-20(26)24(4)14-19(25)22-3/h5-11,15,21,23H,12-14H2,1-4H3,(H,22,25)/t21-/m1/s1.

What are the key properties of N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide?

N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide has a molecular weight of 387.55 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide is sourced from PubChem (CID 9126324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).