N-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C22H27N3O2S — CID 18167146

IUPACN-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCCN(CC)C(CNC(=O)CN1C(=O)CSc2ccccc21)c1ccccc1
InChIInChI=1S/C22H27N3O2S/c1-3-24(4-2)19(17-10-6-5-7-11-17)14-23-21(26)15-25-18-12-8-9-13-20(18)28-16-22(25)27/h5-13,19H,3-4,14-16H2,1-2H3,(H,23,26)
InChIKeyDAYWFKDXHHUXSS-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.32
Rot. Bonds8

About N-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 18167146) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID18167146
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCCN(CC)C(CNC(=O)CN1C(=O)CSc2ccccc21)c1ccccc1
InChIInChI=1S/C22H27N3O2S/c1-3-24(4-2)19(17-10-6-5-7-11-17)14-23-21(26)15-25-18-12-8-9-13-20(18)28-16-22(25)27/h5-13,19H,3-4,14-16H2,1-2H3,(H,23,26)
InChIKeyDAYWFKDXHHUXSS-UHFFFAOYSA-N
XLogP3.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxo-1,4-benzothiazin-4-yl)-N-prop-2-ynylacetamide
CID 18110081
2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide
CID 18162798
N-[2-(diethylamino)-2-phenylethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18167207
N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18131651
N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119430219
N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-phenylethyl)acetamide
CID 51199440
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 78810663
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide
CID 18111140
7-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]heptanoic acid
CID 119227237
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30997351
N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 42939371
N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3262031

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 18167146) is N-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is CCN(CC)C(CNC(=O)CN1C(=O)CSc2ccccc21)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is DAYWFKDXHHUXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-3-24(4-2)19(17-10-6-5-7-11-17)14-23-21(26)15-25-18-12-8-9-13-20(18)28-16-22(25)27/h5-13,19H,3-4,14-16H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 397.54 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 18167146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).