5-chloro-N-[[(5S)-3-[2-fluoro-5-methoxy-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C20H19ClFN3O6S — CID 73330489

About 5-chloro-N-[[(5S)-3-[2-fluoro-5-methoxy-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(5S)-3-[2-fluoro-5-methoxy-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 73330489) has the molecular formula C20H19ClFN3O6S and a molecular weight of 483.91 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-[2-fluoro-5-methoxy-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[(5S)-3-[2-fluoro-5-methoxy-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 73330489
• Molecular Formula: C20H19ClFN3O6S
• Molecular Weight: 483.91 g/mol
• Exact Mass: 483.07
• IUPAC Name: 5-chloro-N-[[(5S)-3-[2-fluoro-5-methoxy-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: COc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)c(F)cc1N1CCOCC1=O
• InChI: InChI=1S/C20H19ClFN3O6S/c1-29-15-7-13(12(22)6-14(15)24-4-5-30-10-18(24)26)25-9-11(31-20(25)28)8-23-19(27)16-2-3-17(21)32-16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,23,27)/t11-/m0/s1
• InChIKey: AHGYZDDRSDHYFP-NSHDSACASA-N
• XLogP: 2.67
• TPSA: 97.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.91
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-3-[2-fluoro-5-methoxy-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[[(5S)-3-[2-fluoro-5-methoxy-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 73330489) is 5-chloro-N-[[(5S)-3-[2-fluoro-5-methoxy-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[(5S)-3-[2-fluoro-5-methoxy-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[(5S)-3-[2-fluoro-5-methoxy-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is COc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)c(F)cc1N1CCOCC1=O.

What is the InChIKey of 5-chloro-N-[[(5S)-3-[2-fluoro-5-methoxy-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The InChIKey is AHGYZDDRSDHYFP-NSHDSACASA-N. The full InChI is InChI=1S/C20H19ClFN3O6S/c1-29-15-7-13(12(22)6-14(15)24-4-5-30-10-18(24)26)25-9-11(31-20(25)28)8-23-19(27)16-2-3-17(21)32-16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,23,27)/t11-/m0/s1.

What are the key properties of 5-chloro-N-[[(5S)-3-[2-fluoro-5-methoxy-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

5-chloro-N-[[(5S)-3-[2-fluoro-5-methoxy-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 483.91 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[(5S)-3-[2-fluoro-5-methoxy-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 73330489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).