N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C23H24F2N4O7S — CID 10392453

IUPACN-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CN(c2ccc(-c3ccc(N4C[C@H](CNS(C)(=O)=O)OC4=O)cc3F)c(F)c2)C(=O)O1
InChIInChI=1S/C23H24F2N4O7S/c1-13(30)26-9-16-11-28(22(31)35-16)14-3-5-18(20(24)7-14)19-6-4-15(8-21(19)25)29-12-17(36-23(29)32)10-27-37(2,33)34/h3-8,16-17,27H,9-12H2,1-2H3,(H,26,30)/t16-,17+/m1/s1
InChIKeyDFAXUOHPBVIKJR-SJORKVTESA-N
MW538.53 g/mol
LogP1.97
Rot. Bonds8

About N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10392453) has the molecular formula C23H24F2N4O7S and a molecular weight of 538.53 g/mol. Its IUPAC name is N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10392453
Molecular FormulaC23H24F2N4O7S
Molecular Weight538.53 g/mol
Exact Mass538.13
IUPAC NameN-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CN(c2ccc(-c3ccc(N4C[C@H](CNS(C)(=O)=O)OC4=O)cc3F)c(F)c2)C(=O)O1
InChIInChI=1S/C23H24F2N4O7S/c1-13(30)26-9-16-11-28(22(31)35-16)14-3-5-18(20(24)7-14)19-6-4-15(8-21(19)25)29-12-17(36-23(29)32)10-27-37(2,33)34/h3-8,16-17,27H,9-12H2,1-2H3,(H,26,30)/t16-,17+/m1/s1
InChIKeyDFAXUOHPBVIKJR-SJORKVTESA-N
XLogP1.97
TPSA134.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.53
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10392453) is N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@@H]1CN(c2ccc(-c3ccc(N4C[C@H](CNS(C)(=O)=O)OC4=O)cc3F)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is DFAXUOHPBVIKJR-SJORKVTESA-N. The full InChI is InChI=1S/C23H24F2N4O7S/c1-13(30)26-9-16-11-28(22(31)35-16)14-3-5-18(20(24)7-14)19-6-4-15(8-21(19)25)29-12-17(36-23(29)32)10-27-37(2,33)34/h3-8,16-17,27H,9-12H2,1-2H3,(H,26,30)/t16-,17+/m1/s1.
What are the key properties of N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 538.53 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10392453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).