2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide

C23H25FN2O2S — CID 8912401

About 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide

2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 8912401) has the molecular formula C23H25FN2O2S and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
• PubChem CID: 8912401
• Molecular Formula: C23H25FN2O2S
• Molecular Weight: 412.53 g/mol
• Exact Mass: 412.16
• IUPAC Name: 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
• SMILES: CCN(CC(=O)N[C@H](c1ccccc1)c1cccs1)Cc1ccc(OC)c(F)c1
• InChI: InChI=1S/C23H25FN2O2S/c1-3-26(15-17-11-12-20(28-2)19(24)14-17)16-22(27)25-23(21-10-7-13-29-21)18-8-5-4-6-9-18/h4-14,23H,3,15-16H2,1-2H3,(H,25,27)/t23-/m1/s1
• InChIKey: ONWXXDPJRPILTO-HSZRJFAPSA-N
• XLogP: 4.62
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.53
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?

The IUPAC name of 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide (CID 8912401) is 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?

The canonical SMILES for 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide is CCN(CC(=O)N[C@H](c1ccccc1)c1cccs1)Cc1ccc(OC)c(F)c1.

What is the InChIKey of 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?

The InChIKey is ONWXXDPJRPILTO-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25FN2O2S/c1-3-26(15-17-11-12-20(28-2)19(24)14-17)16-22(27)25-23(21-10-7-13-29-21)18-8-5-4-6-9-18/h4-14,23H,3,15-16H2,1-2H3,(H,25,27)/t23-/m1/s1.

What are the key properties of 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?

2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 412.53 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 8912401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).