N-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

C18H17ClN2O3S — CID 92785319

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESO=C(C[C@@H]1Sc2ccccc2NC1=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O3S/c19-12-5-7-13(8-6-12)24-10-9-20-17(22)11-16-18(23)21-14-3-1-2-4-15(14)25-16/h1-8,16H,9-11H2,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyDCDQASMIZCTZRR-INIZCTEOSA-N
MW376.87 g/mol
LogP3.34
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

N-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 92785319) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID92785319
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESO=C(C[C@@H]1Sc2ccccc2NC1=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O3S/c19-12-5-7-13(8-6-12)24-10-9-20-17(22)11-16-18(23)21-14-3-1-2-4-15(14)25-16/h1-8,16H,9-11H2,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyDCDQASMIZCTZRR-INIZCTEOSA-N
XLogP3.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-phenoxypropyl)acetamide
CID 51286535
N-[2-(3-fluorophenoxy)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55657436
N-(3-butoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 51165918
N-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 17410958
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9246535
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-[2-(dimethylamino)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 40591425
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-phenylsulfanylpropyl)acetamide
CID 51161456
N-[(3-chlorophenyl)methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1481831
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875
N-[2-(2-methylphenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41013278
N-[2-(ethylamino)-2-oxoethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9224548

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (CID 92785319) is N-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is O=C(C[C@@H]1Sc2ccccc2NC1=O)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is DCDQASMIZCTZRR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c19-12-5-7-13(8-6-12)24-10-9-20-17(22)11-16-18(23)21-14-3-1-2-4-15(14)25-16/h1-8,16H,9-11H2,(H,20,22)(H,21,23)/t16-/m0/s1.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 376.87 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 92785319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).