N-[(2S)-1-[ethyl-[(3-fluorophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C23H23FN2O2S — CID 24548282

About N-[(2S)-1-[ethyl-[(3-fluorophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[(2S)-1-[ethyl-[(3-fluorophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 24548282) has the molecular formula C23H23FN2O2S and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[(2S)-1-[ethyl-[(3-fluorophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[ethyl-[(3-fluorophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
• PubChem CID: 24548282
• Molecular Formula: C23H23FN2O2S
• Molecular Weight: 410.51 g/mol
• Exact Mass: 410.15
• IUPAC Name: N-[(2S)-1-[ethyl-[(3-fluorophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
• SMILES: CCN(Cc1cccc(F)c1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1
• InChI: InChI=1S/C23H23FN2O2S/c1-2-26(16-18-10-6-11-19(24)14-18)23(28)20(15-17-8-4-3-5-9-17)25-22(27)21-12-7-13-29-21/h3-14,20H,2,15-16H2,1H3,(H,25,27)/t20-/m0/s1
• InChIKey: DXDXDUJDLZBGLW-FQEVSTJZSA-N
• XLogP: 4.28
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.51
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[ethyl-[(3-fluorophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[(2S)-1-[ethyl-[(3-fluorophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 24548282) is N-[(2S)-1-[ethyl-[(3-fluorophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[ethyl-[(3-fluorophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[ethyl-[(3-fluorophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is CCN(Cc1cccc(F)c1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1.

What is the InChIKey of N-[(2S)-1-[ethyl-[(3-fluorophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The InChIKey is DXDXDUJDLZBGLW-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23FN2O2S/c1-2-26(16-18-10-6-11-19(24)14-18)23(28)20(15-17-8-4-3-5-9-17)25-22(27)21-12-7-13-29-21/h3-14,20H,2,15-16H2,1H3,(H,25,27)/t20-/m0/s1.

What are the key properties of N-[(2S)-1-[ethyl-[(3-fluorophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

N-[(2S)-1-[ethyl-[(3-fluorophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[ethyl-[(3-fluorophenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 24548282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).