2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide

C19H22N2OS — CID 8591952

IUPAC2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CN1CCSc2ccccc21
InChIInChI=1S/C19H22N2OS/c1-14(2)15-7-3-4-8-16(15)20-19(22)13-21-11-12-23-18-10-6-5-9-17(18)21/h3-10,14H,11-13H2,1-2H3,(H,20,22)
InChIKeyYTRULUPAWROBBG-UHFFFAOYSA-N
MW326.46 g/mol
LogP4.36
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide

2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 8591952) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID8591952
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC Name2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CN1CCSc2ccccc21
InChIInChI=1S/C19H22N2OS/c1-14(2)15-7-3-4-8-16(15)20-19(22)13-21-11-12-23-18-10-6-5-9-17(18)21/h3-10,14H,11-13H2,1-2H3,(H,20,22)
InChIKeyYTRULUPAWROBBG-UHFFFAOYSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetyl]amino]benzoate
CID 8591972
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4877804
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8591987
2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8904308
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110877789
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 22577582
2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 2653936
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2652884
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 172888877
3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942028

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide (CID 8591952) is 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)CN1CCSc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is YTRULUPAWROBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-14(2)15-7-3-4-8-16(15)20-19(22)13-21-11-12-23-18-10-6-5-9-17(18)21/h3-10,14H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide?
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 326.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 8591952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).