N-[[(5S)-3-[3-fluoro-4-(1-sulfinyl-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide

C19H20FN3O5S2 — CID 173121689

IUPACN-[[(5S)-3-[3-fluoro-4-(1-sulfinyl-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide
SMILESO=S=S1CCN(c2ccc(N3C[C@H](CNC(=O)c4ccco4)OC3=O)cc2F)CC1
InChIInChI=1S/C19H20FN3O5S2/c20-15-10-13(3-4-16(15)22-5-8-30(29-26)9-6-22)23-12-14(28-19(23)25)11-21-18(24)17-2-1-7-27-17/h1-4,7,10,14H,5-6,8-9,11-12H2,(H,21,24)/t14-/m0/s1
InChIKeyIMNCMNJKKYBOBA-AWEZNQCLSA-N
MW453.52 g/mol
LogP1.74
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-(1-sulfinyl-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide

N-[[(5S)-3-[3-fluoro-4-(1-sulfinyl-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide (PubChem CID 173121689) has the molecular formula C19H20FN3O5S2 and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(1-sulfinyl-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(1-sulfinyl-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide
PubChem CID173121689
Molecular FormulaC19H20FN3O5S2
Molecular Weight453.52 g/mol
Exact Mass453.08
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(1-sulfinyl-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide
SMILESO=S=S1CCN(c2ccc(N3C[C@H](CNC(=O)c4ccco4)OC3=O)cc2F)CC1
InChIInChI=1S/C19H20FN3O5S2/c20-15-10-13(3-4-16(15)22-5-8-30(29-26)9-6-22)23-12-14(28-19(23)25)11-21-18(24)17-2-1-7-27-17/h1-4,7,10,14H,5-6,8-9,11-12H2,(H,21,24)/t14-/m0/s1
InChIKeyIMNCMNJKKYBOBA-AWEZNQCLSA-N
XLogP1.74
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[[(5S)-3-[3-fluoro-4-(1-sulfinyl-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide
CID 162463919
N-[[3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21473386
N-[[(5S)-3-[3-fluoro-4-[4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10182913
N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide
CID 110328241
5-chloro-N-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 21070746
N-[[3-[4-(2,2-dihydroxy-2λ4-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide
CID 146310155
N-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 22943616
(5S)-3-[3-fluoro-4-[2-(furan-2-carbonyl)-1,2,5-oxadiazepan-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 159562341
(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-[(furan-2-ylsulfanylamino)methyl]-1,3-oxazolidin-2-one
CID 87618610
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-[3-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 142669207

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(1-sulfinyl-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(1-sulfinyl-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide (CID 173121689) is N-[[(5S)-3-[3-fluoro-4-(1-sulfinyl-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(1-sulfinyl-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(1-sulfinyl-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide is O=S=S1CCN(c2ccc(N3C[C@H](CNC(=O)c4ccco4)OC3=O)cc2F)CC1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(1-sulfinyl-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide?
The InChIKey is IMNCMNJKKYBOBA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20FN3O5S2/c20-15-10-13(3-4-16(15)22-5-8-30(29-26)9-6-22)23-12-14(28-19(23)25)11-21-18(24)17-2-1-7-27-17/h1-4,7,10,14H,5-6,8-9,11-12H2,(H,21,24)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(1-sulfinyl-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide?
N-[[(5S)-3-[3-fluoro-4-(1-sulfinyl-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(1-sulfinyl-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 173121689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).