5-chloro-N-[[3-[4-(2-cyclobutylethyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C21H22ClFN2O3S — CID 143663879

About 5-chloro-N-[[3-[4-(2-cyclobutylethyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[3-[4-(2-cyclobutylethyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 143663879) has the molecular formula C21H22ClFN2O3S and a molecular weight of 436.94 g/mol. Its IUPAC name is 5-chloro-N-[[3-[4-(2-cyclobutylethyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[3-[4-(2-cyclobutylethyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 143663879
• Molecular Formula: C21H22ClFN2O3S
• Molecular Weight: 436.94 g/mol
• Exact Mass: 436.10
• IUPAC Name: 5-chloro-N-[[3-[4-(2-cyclobutylethyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: O=C(NCC1CN(c2ccc(CCC3CCC3)c(F)c2)C(=O)O1)c1ccc(Cl)s1
• InChI: InChI=1S/C21H22ClFN2O3S/c22-19-9-8-18(29-19)20(26)24-11-16-12-25(21(27)28-16)15-7-6-14(17(23)10-15)5-4-13-2-1-3-13/h6-10,13,16H,1-5,11-12H2,(H,24,26)
• InChIKey: YDPQFZVYBPWEIV-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.94
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[4-(2-cyclobutylethyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[[3-[4-(2-cyclobutylethyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 143663879) is 5-chloro-N-[[3-[4-(2-cyclobutylethyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[3-[4-(2-cyclobutylethyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[3-[4-(2-cyclobutylethyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is O=C(NCC1CN(c2ccc(CCC3CCC3)c(F)c2)C(=O)O1)c1ccc(Cl)s1.

What is the InChIKey of 5-chloro-N-[[3-[4-(2-cyclobutylethyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The InChIKey is YDPQFZVYBPWEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O3S/c22-19-9-8-18(29-19)20(26)24-11-16-12-25(21(27)28-16)15-7-6-14(17(23)10-15)5-4-13-2-1-3-13/h6-10,13,16H,1-5,11-12H2,(H,24,26).

What are the key properties of 5-chloro-N-[[3-[4-(2-cyclobutylethyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

5-chloro-N-[[3-[4-(2-cyclobutylethyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[3-[4-(2-cyclobutylethyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 143663879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).