2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide

C18H20N2OS — CID 92875307

IUPAC2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C[C@H](C)Sc3ccccc32)cc1
InChIInChI=1S/C18H20N2OS/c1-13-7-9-15(10-8-13)19-18(21)12-20-11-14(2)22-17-6-4-3-5-16(17)20/h3-10,14H,11-12H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyWKRPTYYSNKNEQV-AWEZNQCLSA-N
MW312.44 g/mol
LogP3.93
Rot. Bonds3

About 2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide

2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide (PubChem CID 92875307) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide
PubChem CID92875307
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C[C@H](C)Sc3ccccc32)cc1
InChIInChI=1S/C18H20N2OS/c1-13-7-9-15(10-8-13)19-18(21)12-20-11-14(2)22-17-6-4-3-5-16(17)20/h3-10,14H,11-12H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyWKRPTYYSNKNEQV-AWEZNQCLSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 46352663
N-(2,4-dimethylphenyl)-2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875277
N-(2,5-dimethylphenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875274
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875295
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 46352677
N-(3-chlorophenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875244
N-(2,3-dimethylphenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875258
N-(2-methoxyphenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875312
N-cycloheptyl-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92713130
N-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875399
N-(3,4-dimethylphenyl)-2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92502220
N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 46352636

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide (CID 92875307) is 2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2C[C@H](C)Sc3ccccc32)cc1.
What is the InChIKey of 2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is WKRPTYYSNKNEQV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-13-7-9-15(10-8-13)19-18(21)12-20-11-14(2)22-17-6-4-3-5-16(17)20/h3-10,14H,11-12H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide?
2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 312.44 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 92875307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).