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

C19H20N2O2S — CID 3262031

IUPACN-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCc1ccc(CCNC(=O)CN2C(=O)CSc3ccccc32)cc1
InChIInChI=1S/C19H20N2O2S/c1-14-6-8-15(9-7-14)10-11-20-18(22)12-21-16-4-2-3-5-17(16)24-13-19(21)23/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyODYNWTPVGZTHDZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.79
Rot. Bonds5

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

N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 3262031) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID3262031
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCc1ccc(CCNC(=O)CN2C(=O)CSc3ccccc32)cc1
InChIInChI=1S/C19H20N2O2S/c1-14-6-8-15(9-7-14)10-11-20-18(22)12-21-16-4-2-3-5-17(16)24-13-19(21)23/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyODYNWTPVGZTHDZ-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3660987
methyl 4-[2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]ethyl]benzoate
CID 36774416
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 34980093
2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 3675903
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3585140
N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119430219
2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide
CID 18162798
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 22577582
2-(3-oxo-1,4-benzothiazin-4-yl)-N-prop-2-ynylacetamide
CID 18110081
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 78810663
4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
CID 774117
7-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]heptanoic acid
CID 119227237

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 3262031) is N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is Cc1ccc(CCNC(=O)CN2C(=O)CSc3ccccc32)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is ODYNWTPVGZTHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14-6-8-15(9-7-14)10-11-20-18(22)12-21-16-4-2-3-5-17(16)24-13-19(21)23/h2-9H,10-13H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 3262031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).