N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide

C26H32FN3O6S — CID 59905855

IUPACN-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide
SMILESCOc1cc(OC)c(CN(C[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)C(C)=S)c(OC)c1
InChIInChI=1S/C26H32FN3O6S/c1-17(37)29(16-21-24(33-3)12-19(32-2)13-25(21)34-4)14-20-15-30(26(31)36-20)18-5-6-23(22(27)11-18)28-7-9-35-10-8-28/h5-6,11-13,20H,7-10,14-16H2,1-4H3/t20-/m0/s1
InChIKeyNCWBRPFEUVAKFW-FQEVSTJZSA-N
MW533.62 g/mol
LogP3.86
Rot. Bonds9

About N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide

N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide (PubChem CID 59905855) has the molecular formula C26H32FN3O6S and a molecular weight of 533.62 g/mol. Its IUPAC name is N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide.

Molecular Properties

Compound NameN-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide
PubChem CID59905855
Molecular FormulaC26H32FN3O6S
Molecular Weight533.62 g/mol
Exact Mass533.20
IUPAC NameN-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide
SMILESCOc1cc(OC)c(CN(C[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)C(C)=S)c(OC)c1
InChIInChI=1S/C26H32FN3O6S/c1-17(37)29(16-21-24(33-3)12-19(32-2)13-25(21)34-4)14-20-15-30(26(31)36-20)18-5-6-23(22(27)11-18)28-7-9-35-10-8-28/h5-6,11-13,20H,7-10,14-16H2,1-4H3/t20-/m0/s1
InChIKeyNCWBRPFEUVAKFW-FQEVSTJZSA-N
XLogP3.86
TPSA72.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.62
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide with MolForge

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Related Compounds

N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methylacetamide
CID 118689021
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 12040041
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-sulfanylformamide
CID 87931203
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 91473746
sodium;bis(N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide);methanol;methanolate;sulfane;hydrate
CID 161348705
(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one
CID 90227685
[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyloxy]carbamic acid
CID 166680319
methyl 3-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoate
CID 22943686
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-hydroxypentanamide
CID 162459116
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-dimethylpropanamide
CID 10156575
N-acetyl-(2,2-dimethylpropanoyloxy)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
CID 118329907
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-[hydroxy(dimethyl)silyl]acetamide
CID 90213724

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide?
The IUPAC name of N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide (CID 59905855) is N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide.
What is the SMILES notation for N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide?
The canonical SMILES for N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide is COc1cc(OC)c(CN(C[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)C(C)=S)c(OC)c1.
What is the InChIKey of N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide?
The InChIKey is NCWBRPFEUVAKFW-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H32FN3O6S/c1-17(37)29(16-21-24(33-3)12-19(32-2)13-25(21)34-4)14-20-15-30(26(31)36-20)18-5-6-23(22(27)11-18)28-7-9-35-10-8-28/h5-6,11-13,20H,7-10,14-16H2,1-4H3/t20-/m0/s1.
What are the key properties of N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide?
N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide has a molecular weight of 533.62 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]ethanethioamide is sourced from PubChem (CID 59905855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).