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

C20H21F2N3O5S — CID 11293950

IUPACN-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNS(C)(=O)=O)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H21F2N3O5S/c1-12(26)23-10-16-11-25(20(27)30-16)15-5-6-17(19(22)8-15)13-3-4-14(18(21)7-13)9-24-31(2,28)29/h3-8,16,24H,9-11H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyUFSSEFPBDHRRTP-INIZCTEOSA-N
MW453.47 g/mol
LogP2.14
Rot. Bonds7

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

N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11293950) has the molecular formula C20H21F2N3O5S and a molecular weight of 453.47 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11293950
Molecular FormulaC20H21F2N3O5S
Molecular Weight453.47 g/mol
Exact Mass453.12
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNS(C)(=O)=O)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H21F2N3O5S/c1-12(26)23-10-16-11-25(20(27)30-16)15-5-6-17(19(22)8-15)13-3-4-14(18(21)7-13)9-24-31(2,28)29/h3-8,16,24H,9-11H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyUFSSEFPBDHRRTP-INIZCTEOSA-N
XLogP2.14
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11293950) is N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNS(C)(=O)=O)c(F)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is UFSSEFPBDHRRTP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21F2N3O5S/c1-12(26)23-10-16-11-25(20(27)30-16)15-5-6-17(19(22)8-15)13-3-4-14(18(21)7-13)9-24-31(2,28)29/h3-8,16,24H,9-11H2,1-2H3,(H,23,26)/t16-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 453.47 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11293950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).