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

C19H19ClN2O3S — CID 42920527

IUPACN-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCN(CCOc1ccccc1Cl)C(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C19H19ClN2O3S/c1-22(10-11-25-15-8-4-2-6-13(15)20)18(23)12-17-19(24)21-14-7-3-5-9-16(14)26-17/h2-9,17H,10-12H2,1H3,(H,21,24)
InChIKeyGUOOKJXJHWWEIB-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.68
Rot. Bonds6

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

N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 42920527) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID42920527
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCN(CCOc1ccccc1Cl)C(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C19H19ClN2O3S/c1-22(10-11-25-15-8-4-2-6-13(15)20)18(23)12-17-19(24)21-14-7-3-5-9-16(14)26-17/h2-9,17H,10-12H2,1H3,(H,21,24)
InChIKeyGUOOKJXJHWWEIB-UHFFFAOYSA-N
XLogP3.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27774120
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9409919
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27824819
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9182914
N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 55549734
N-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 94463249
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 51181536
N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 9437479
N-methyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 40954509
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 693708
[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino] 2-chlorobenzoate
CID 6976517

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 42920527) is N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is CN(CCOc1ccccc1Cl)C(=O)CC1Sc2ccccc2NC1=O.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is GUOOKJXJHWWEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-22(10-11-25-15-8-4-2-6-13(15)20)18(23)12-17-19(24)21-14-7-3-5-9-16(14)26-17/h2-9,17H,10-12H2,1H3,(H,21,24).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 390.89 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 42920527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).