3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide

C23H25FN2O2S — CID 92619340

About 3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide

3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 92619340) has the molecular formula C23H25FN2O2S and a molecular weight of 412.53 g/mol. Its IUPAC name is 3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
• PubChem CID: 92619340
• Molecular Formula: C23H25FN2O2S
• Molecular Weight: 412.53 g/mol
• Exact Mass: 412.16
• IUPAC Name: 3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
• SMILES: CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cccc(F)c2)CCO1
• InChI: InChI=1S/C23H25FN2O2S/c1-15(2)25-23(27)22-21(18-8-3-4-9-20(18)29-22)19-14-26(10-11-28-19)13-16-6-5-7-17(24)12-16/h3-9,12,15,19H,10-11,13-14H2,1-2H3,(H,25,27)/t19-/m1/s1
• InChIKey: OSBPXUQFFXSEHP-LJQANCHMSA-N
• XLogP: 4.75
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.53
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?

The IUPAC name of 3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide (CID 92619340) is 3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide.

What is the SMILES notation for 3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?

The canonical SMILES for 3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide is CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cccc(F)c2)CCO1.

What is the InChIKey of 3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?

The InChIKey is OSBPXUQFFXSEHP-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25FN2O2S/c1-15(2)25-23(27)22-21(18-8-3-4-9-20(18)29-22)19-14-26(10-11-28-19)13-16-6-5-7-17(24)12-16/h3-9,12,15,19H,10-11,13-14H2,1-2H3,(H,25,27)/t19-/m1/s1.

What are the key properties of 3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?

3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 92619340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).