(5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

C27H27N3O4S — CID 86290510

IUPAC(5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2cccc(CNCC[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)c2)cc1
InChIInChI=1S/C27H27N3O4S/c1-33-22-8-5-19(6-9-22)20-4-2-3-18(13-20)15-28-12-11-23-16-30(27(32)34-23)21-7-10-25-24(14-21)29-26(31)17-35-25/h2-10,13-14,23,28H,11-12,15-17H2,1H3,(H,29,31)/t23-/m1/s1
InChIKeyJWUGLAQHBBEENX-HSZRJFAPSA-N
MW489.60 g/mol
LogP4.91
Rot. Bonds8

About (5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

(5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 86290510) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is (5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
PubChem CID86290510
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC Name(5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2cccc(CNCC[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)c2)cc1
InChIInChI=1S/C27H27N3O4S/c1-33-22-8-5-19(6-9-22)20-4-2-3-18(13-20)15-28-12-11-23-16-30(27(32)34-23)21-7-10-25-24(14-21)29-26(31)17-35-25/h2-10,13-14,23,28H,11-12,15-17H2,1H3,(H,29,31)/t23-/m1/s1
InChIKeyJWUGLAQHBBEENX-HSZRJFAPSA-N
XLogP4.91
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one 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

(5R)-5-[2-[[3-(4-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 86290587
(5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 86290670
(5S)-5-[3-(naphthalen-1-ylmethylamino)propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66737576
(5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one
CID 123625224
2-amino-5-methoxy-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 86723069
3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-[2-(2-quinolin-2-ylethylamino)ethyl]-1,3-oxazolidin-2-one
CID 67308495
4-hydroxy-3-[4-[[2-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2-pyridinyl]benzonitrile
CID 136954899
2-amino-6-methoxy-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 86723068
(5S)-5-[3-[(7-fluoro-2-methoxyquinoxalin-6-yl)methylamino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 45279181
5-(3-aminopropyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66736987
(5S)-5-[2-[[(9S)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 71111314
(5R)-5-(chloromethyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67131156

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (CID 86290510) is (5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is COc1ccc(-c2cccc(CNCC[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)c2)cc1.
What is the InChIKey of (5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The InChIKey is JWUGLAQHBBEENX-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-33-22-8-5-19(6-9-22)20-4-2-3-18(13-20)15-28-12-11-23-16-30(27(32)34-23)21-7-10-25-24(14-21)29-26(31)17-35-25/h2-10,13-14,23,28H,11-12,15-17H2,1H3,(H,29,31)/t23-/m1/s1.
What are the key properties of (5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
(5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 489.60 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 86290510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).