N-[[(5S)-3-[3-fluoro-4-[5-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C17H20FN5O5S2 — CID 54267116

About N-[[(5S)-3-[3-fluoro-4-[5-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[5-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 54267116) has the molecular formula C17H20FN5O5S2 and a molecular weight of 457.51 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[5-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[5-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 54267116
• Molecular Formula: C17H20FN5O5S2
• Molecular Weight: 457.51 g/mol
• Exact Mass: 457.09
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[5-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3nnc(CCNS(C)(=O)=O)s3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C17H20FN5O5S2/c1-10(24)19-8-12-9-23(17(25)28-12)11-3-4-13(14(18)7-11)16-22-21-15(29-16)5-6-20-30(2,26)27/h3-4,7,12,20H,5-6,8-9H2,1-2H3,(H,19,24)/t12-/m0/s1
• InChIKey: RHNWMGFSLSYOAF-LBPRGKRZSA-N
• XLogP: 0.90
• TPSA: 130.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.51
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[5-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[5-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 54267116) is N-[[(5S)-3-[3-fluoro-4-[5-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[5-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[5-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3nnc(CCNS(C)(=O)=O)s3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[5-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is RHNWMGFSLSYOAF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20FN5O5S2/c1-10(24)19-8-12-9-23(17(25)28-12)11-3-4-13(14(18)7-11)16-22-21-15(29-16)5-6-20-30(2,26)27/h3-4,7,12,20H,5-6,8-9H2,1-2H3,(H,19,24)/t12-/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-[5-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[3-fluoro-4-[5-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 457.51 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[5-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 54267116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).