2-[[(2S)-butan-2-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide

C21H30N2O3S — CID 7283565

About 2-[[(2S)-butan-2-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide

2-[[(2S)-butan-2-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 7283565) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is 2-[[(2S)-butan-2-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[[(2S)-butan-2-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 7283565
• Molecular Formula: C21H30N2O3S
• Molecular Weight: 390.55 g/mol
• Exact Mass: 390.20
• IUPAC Name: 2-[[(2S)-butan-2-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
• SMILES: CC[C@H](C)NCC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1
• InChI: InChI=1S/C21H30N2O3S/c1-5-16(2)22-14-21(24)23(15-18-7-6-12-27-18)11-10-17-8-9-19(25-3)20(13-17)26-4/h6-9,12-13,16,22H,5,10-11,14-15H2,1-4H3/t16-/m0/s1
• InChIKey: HZGZKFVAYVZABC-INIZCTEOSA-N
• XLogP: 3.72
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.55
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-butan-2-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of 2-[[(2S)-butan-2-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide (CID 7283565) is 2-[[(2S)-butan-2-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[[(2S)-butan-2-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for 2-[[(2S)-butan-2-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide is CC[C@H](C)NCC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1.

What is the InChIKey of 2-[[(2S)-butan-2-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is HZGZKFVAYVZABC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H30N2O3S/c1-5-16(2)22-14-21(24)23(15-18-7-6-12-27-18)11-10-17-8-9-19(25-3)20(13-17)26-4/h6-9,12-13,16,22H,5,10-11,14-15H2,1-4H3/t16-/m0/s1.

What are the key properties of 2-[[(2S)-butan-2-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide?

2-[[(2S)-butan-2-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 390.55 g/mol, XLogP of 3.72, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2S)-butan-2-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 7283565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).