N-(4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-yl)acetamide

C16H18N2OS — CID 625402

IUPACN-(4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-yl)acetamide
SMILESCC(=O)NC1=NC2=C(CCCC2)C(c2ccccc2)S1
InChIInChI=1S/C16H18N2OS/c1-11(19)17-16-18-14-10-6-5-9-13(14)15(20-16)12-7-3-2-4-8-12/h2-4,7-8,15H,5-6,9-10H2,1H3,(H,17,18,19)
InChIKeyWDANJLVKGDUFKK-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.79
Rot. Bonds1

About N-(4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-yl)acetamide

N-(4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-yl)acetamide (PubChem CID 625402) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-yl)acetamide
PubChem CID625402
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-yl)acetamide
SMILESCC(=O)NC1=NC2=C(CCCC2)C(c2ccccc2)S1
InChIInChI=1S/C16H18N2OS/c1-11(19)17-16-18-14-10-6-5-9-13(14)15(20-16)12-7-3-2-4-8-12/h2-4,7-8,15H,5-6,9-10H2,1H3,(H,17,18,19)
InChIKeyWDANJLVKGDUFKK-UHFFFAOYSA-N
XLogP3.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Butan-2-ylsulfanyl)-6-[(2,6-difluorophenyl)methyl]-3,4-dihydropyrimidin-4-one
CID 135402750
2-(Cyclopentylsulfanyl)-6-[(2,6-difluorophenyl)methyl]-3,4-dihydropyrimidin-4-one
CID 135402751
2-(Cyclohexylsulfanyl)-6-[(2,6-difluorophenyl)methyl]-3,4-dihydropyrimidin-4-one
CID 135402780
4-(1-naphthylmethyl)-2-sec-butylsulfanyl-1H-pyrimidin-6-one
CID 135402797
6-Benzyl-2-(cyclohexylsulfanyl)-3,4-dihydropyrimidin-4-one
CID 135402808
2-(Butan-2-ylsulfanyl)-6-[1-(2,6-difluorophenyl)ethyl]-5-methyl-3,4-dihydropyrimidin-4-one
CID 135402742
6-Benzyl-2-(benzylthio)-5-methylpyrimidin-4(3H)-one
CID 135924204
2-(Allylthio)-6-benzyl-5-methylpyrimidin-4(3H)-one
CID 135924221
6-Benzyl-5-methyl-2-(3-methylbenzylthio)pyrimidin-4(3H)-one
CID 135924223
6-Benzyl-5-methyl-2-(3-phenylpropylthio)pyrimidin-4(3H)-one
CID 135924224
6-Benzyl-5-methyl-2-(benzylthio)pyrimidin-4(3H)-one
CID 136086741
6-Benzyl-5-methyl-2-(2-methylbenzylthio)pyrimidin-4(3H)-one
CID 136086743

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-yl)acetamide?
The IUPAC name of N-(4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-yl)acetamide (CID 625402) is N-(4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-(4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-(4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-yl)acetamide is CC(=O)NC1=NC2=C(CCCC2)C(c2ccccc2)S1.
What is the InChIKey of N-(4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-yl)acetamide?
The InChIKey is WDANJLVKGDUFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11(19)17-16-18-14-10-6-5-9-13(14)15(20-16)12-7-3-2-4-8-12/h2-4,7-8,15H,5-6,9-10H2,1H3,(H,17,18,19).
What are the key properties of N-(4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-yl)acetamide?
N-(4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-yl)acetamide has a molecular weight of 286.40 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-5,6,7,8-tetrahydro-4H-3,1-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 625402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).