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

C22H24F2N2O4S — CID 11719359

IUPACN-[[(5S)-3-[3-fluoro-4-[4-(3-fluoropropylsulfinylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CS(=O)CCCF)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H24F2N2O4S/c1-15(27)25-12-19-13-26(22(28)30-19)18-7-8-20(21(24)11-18)17-5-3-16(4-6-17)14-31(29)10-2-9-23/h3-8,11,19H,2,9-10,12-14H2,1H3,(H,25,27)/t19-,31?/m0/s1
InChIKeyQTFKWGBEJALHBC-LRECHQAASA-N
MW450.51 g/mol
LogP3.56
Rot. Bonds9

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

N-[[(5S)-3-[3-fluoro-4-[4-(3-fluoropropylsulfinylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11719359) has the molecular formula C22H24F2N2O4S and a molecular weight of 450.51 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(3-fluoropropylsulfinylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-(3-fluoropropylsulfinylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11719359
Molecular FormulaC22H24F2N2O4S
Molecular Weight450.51 g/mol
Exact Mass450.14
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-(3-fluoropropylsulfinylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CS(=O)CCCF)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H24F2N2O4S/c1-15(27)25-12-19-13-26(22(28)30-19)18-7-8-20(21(24)11-18)17-5-3-16(4-6-17)14-31(29)10-2-9-23/h3-8,11,19H,2,9-10,12-14H2,1H3,(H,25,27)/t19-,31?/m0/s1
InChIKeyQTFKWGBEJALHBC-LRECHQAASA-N
XLogP3.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(3-fluoropropylsulfinylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(3-fluoropropylsulfinylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11719359) is N-[[(5S)-3-[3-fluoro-4-[4-(3-fluoropropylsulfinylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-(3-fluoropropylsulfinylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-(3-fluoropropylsulfinylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CS(=O)CCCF)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-(3-fluoropropylsulfinylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is QTFKWGBEJALHBC-LRECHQAASA-N. The full InChI is InChI=1S/C22H24F2N2O4S/c1-15(27)25-12-19-13-26(22(28)30-19)18-7-8-20(21(24)11-18)17-5-3-16(4-6-17)14-31(29)10-2-9-23/h3-8,11,19H,2,9-10,12-14H2,1H3,(H,25,27)/t19-,31?/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-(3-fluoropropylsulfinylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-(3-fluoropropylsulfinylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 450.51 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-(3-fluoropropylsulfinylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11719359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).