N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C15H18FN3O5S — CID 91018786

IUPACN-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(C2c3ccccc3N(CCF)S2(=O)=O)C(=O)O1
InChIInChI=1S/C15H18FN3O5S/c1-10(20)17-8-11-9-18(15(21)24-11)14-12-4-2-3-5-13(12)19(7-6-16)25(14,22)23/h2-5,11,14H,6-9H2,1H3,(H,17,20)/t11-,14?/m0/s1
InChIKeyPFSALEKMDPNXIR-ZSOXZCCMSA-N
MW371.39 g/mol
LogP0.76
Rot. Bonds5

About N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 91018786) has the molecular formula C15H18FN3O5S and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID91018786
Molecular FormulaC15H18FN3O5S
Molecular Weight371.39 g/mol
Exact Mass371.10
IUPAC NameN-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(C2c3ccccc3N(CCF)S2(=O)=O)C(=O)O1
InChIInChI=1S/C15H18FN3O5S/c1-10(20)17-8-11-9-18(15(21)24-11)14-12-4-2-3-5-13(12)19(7-6-16)25(14,22)23/h2-5,11,14H,6-9H2,1H3,(H,17,20)/t11-,14?/m0/s1
InChIKeyPFSALEKMDPNXIR-ZSOXZCCMSA-N
XLogP0.76
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 91018786) is N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(C2c3ccccc3N(CCF)S2(=O)=O)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is PFSALEKMDPNXIR-ZSOXZCCMSA-N. The full InChI is InChI=1S/C15H18FN3O5S/c1-10(20)17-8-11-9-18(15(21)24-11)14-12-4-2-3-5-13(12)19(7-6-16)25(14,22)23/h2-5,11,14H,6-9H2,1H3,(H,17,20)/t11-,14?/m0/s1.
What are the key properties of N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 371.39 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[1-(2-fluoroethyl)-2,2-dioxo-3H-2,1-benzothiazol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 91018786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).