2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide

C21H21ClN4O4S — CID 89405764

IUPAC2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
SMILESNc1cccc(Cl)c1C(=O)NCCCC1CN(c2ccc3c(c2)NC(=O)CS3)C(=O)O1
InChIInChI=1S/C21H21ClN4O4S/c22-14-4-1-5-15(23)19(14)20(28)24-8-2-3-13-10-26(21(29)30-13)12-6-7-17-16(9-12)25-18(27)11-31-17/h1,4-7,9,13H,2-3,8,10-11,23H2,(H,24,28)(H,25,27)
InChIKeyHQURMIRTIPNRIK-UHFFFAOYSA-N
MW460.94 g/mol
LogP3.50
Rot. Bonds6

About 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide

2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide (PubChem CID 89405764) has the molecular formula C21H21ClN4O4S and a molecular weight of 460.94 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
PubChem CID89405764
Molecular FormulaC21H21ClN4O4S
Molecular Weight460.94 g/mol
Exact Mass460.10
IUPAC Name2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
SMILESNc1cccc(Cl)c1C(=O)NCCCC1CN(c2ccc3c(c2)NC(=O)CS3)C(=O)O1
InChIInChI=1S/C21H21ClN4O4S/c22-14-4-1-5-15(23)19(14)20(28)24-8-2-3-13-10-26(21(29)30-13)12-6-7-17-16(9-12)25-18(27)11-31-17/h1,4-7,9,13H,2-3,8,10-11,23H2,(H,24,28)(H,25,27)
InChIKeyHQURMIRTIPNRIK-UHFFFAOYSA-N
XLogP3.50
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 90216287
2-amino-3-fluoro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 89406092
2-amino-4-methyl-N-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 86723059
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
5-(3-aminopropyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66736987
(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
5-chloro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione
CID 71255287
(5R)-5-(chloromethyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67131156
(5R)-5-[3-[(4-hydroxynaphthalen-1-yl)methylamino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66737478
(5S)-5-[3-[(4-hydroxynaphthalen-1-yl)methylamino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66737023

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide?
The IUPAC name of 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide (CID 89405764) is 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide?
The canonical SMILES for 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide is Nc1cccc(Cl)c1C(=O)NCCCC1CN(c2ccc3c(c2)NC(=O)CS3)C(=O)O1.
What is the InChIKey of 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide?
The InChIKey is HQURMIRTIPNRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4S/c22-14-4-1-5-15(23)19(14)20(28)24-8-2-3-13-10-26(21(29)30-13)12-6-7-17-16(9-12)25-18(27)11-31-17/h1,4-7,9,13H,2-3,8,10-11,23H2,(H,24,28)(H,25,27).
What are the key properties of 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide?
2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide has a molecular weight of 460.94 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide is sourced from PubChem (CID 89405764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).