N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-fluorobenzamide

C24H26FN3O4S2 — CID 142474771

About N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-fluorobenzamide

N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-fluorobenzamide (PubChem CID 142474771) has the molecular formula C24H26FN3O4S2 and a molecular weight of 503.62 g/mol. Its IUPAC name is N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-fluorobenzamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-fluorobenzamide
• PubChem CID: 142474771
• Molecular Formula: C24H26FN3O4S2
• Molecular Weight: 503.62 g/mol
• Exact Mass: 503.13
• IUPAC Name: N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-fluorobenzamide
• SMILES: CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2cccs2)NC(=O)c2ccc(F)cc2)cc1
• InChI: InChI=1S/C24H26FN3O4S2/c1-24(2,3)28-34(31,32)20-12-10-18(11-13-20)26-23(30)21(15-19-5-4-14-33-19)27-22(29)16-6-8-17(25)9-7-16/h4-14,21,28H,15H2,1-3H3,(H,26,30)(H,27,29)/t21-/m0/s1
• InChIKey: ZXPWDJGUZNVKTC-NRFANRHFSA-N
• XLogP: 3.94
• TPSA: 104.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.62
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-fluorobenzamide?

The IUPAC name of N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-fluorobenzamide (CID 142474771) is N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-fluorobenzamide.

What is the SMILES notation for N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-fluorobenzamide?

The canonical SMILES for N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-fluorobenzamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2cccs2)NC(=O)c2ccc(F)cc2)cc1.

What is the InChIKey of N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-fluorobenzamide?

The InChIKey is ZXPWDJGUZNVKTC-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26FN3O4S2/c1-24(2,3)28-34(31,32)20-12-10-18(11-13-20)26-23(30)21(15-19-5-4-14-33-19)27-22(29)16-6-8-17(25)9-7-16/h4-14,21,28H,15H2,1-3H3,(H,26,30)(H,27,29)/t21-/m0/s1.

What are the key properties of N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-fluorobenzamide?

N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-fluorobenzamide has a molecular weight of 503.62 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 142474771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).