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

C20H24N2OS — CID 92713185

IUPAC2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCC[C@H]1CN(CC(=O)NCc2ccc(C)cc2)c2ccccc2S1
InChIInChI=1S/C20H24N2OS/c1-3-17-13-22(18-6-4-5-7-19(18)24-17)14-20(23)21-12-16-10-8-15(2)9-11-16/h4-11,17H,3,12-14H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyPTUYLAVLZZYTJL-KRWDZBQOSA-N
MW340.49 g/mol
LogP4.00
Rot. Bonds5

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

2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 92713185) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID92713185
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCC[C@H]1CN(CC(=O)NCc2ccc(C)cc2)c2ccccc2S1
InChIInChI=1S/C20H24N2OS/c1-3-17-13-22(18-6-4-5-7-19(18)24-17)14-20(23)21-12-16-10-8-15(2)9-11-16/h4-11,17H,3,12-14H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyPTUYLAVLZZYTJL-KRWDZBQOSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide
CID 92502222
N-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875399
N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92713164
N-(3,4-dimethylphenyl)-2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92502220
N-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 20907252
2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide
CID 92875307
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 22577582
2-(2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 46352700
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 3674095
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
2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616915

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 92713185) is 2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide is CC[C@H]1CN(CC(=O)NCc2ccc(C)cc2)c2ccccc2S1.
What is the InChIKey of 2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is PTUYLAVLZZYTJL-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-3-17-13-22(18-6-4-5-7-19(18)24-17)14-20(23)21-12-16-10-8-15(2)9-11-16/h4-11,17H,3,12-14H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of 2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 340.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 92713185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).