N-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide

C20H24N2OS — CID 92875399

IUPACN-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
SMILESCC[C@H]1CN(CC(=O)Nc2cc(C)cc(C)c2)c2ccccc2S1
InChIInChI=1S/C20H24N2OS/c1-4-17-12-22(18-7-5-6-8-19(18)24-17)13-20(23)21-16-10-14(2)9-15(3)11-16/h5-11,17H,4,12-13H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyZOBWIOFHRQWLIG-KRWDZBQOSA-N
MW340.49 g/mol
LogP4.63
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide

N-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide (PubChem CID 92875399) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
PubChem CID92875399
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC NameN-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
SMILESCC[C@H]1CN(CC(=O)Nc2cc(C)cc(C)c2)c2ccccc2S1
InChIInChI=1S/C20H24N2OS/c1-4-17-12-22(18-7-5-6-8-19(18)24-17)13-20(23)21-16-10-14(2)9-15(3)11-16/h5-11,17H,4,12-13H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyZOBWIOFHRQWLIG-KRWDZBQOSA-N
XLogP4.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92502220
2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 92713185
2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide
CID 92875307
2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide
CID 92502222
2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 92875430
N-(2,4-dimethylphenyl)-2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875277
4-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 17493504
N-(2,5-dimethylphenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875274
N-(3-chlorophenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875244
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 22199883
N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 46352663
2-(2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 46352691

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide (CID 92875399) is N-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide is CC[C@H]1CN(CC(=O)Nc2cc(C)cc(C)c2)c2ccccc2S1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide?
The InChIKey is ZOBWIOFHRQWLIG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-4-17-12-22(18-7-5-6-8-19(18)24-17)13-20(23)21-16-10-14(2)9-15(3)11-16/h5-11,17H,4,12-13H2,1-3H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide has a molecular weight of 340.49 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide is sourced from PubChem (CID 92875399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).