2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide

C20H22N2O2S — CID 25397114

IUPAC2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide
SMILESCC[C@@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-2-14(15-8-4-3-5-9-15)13-21-19(23)12-18-20(24)22-16-10-6-7-11-17(16)25-18/h3-11,14,18H,2,12-13H2,1H3,(H,21,23)(H,22,24)/t14-,18-/m0/s1
InChIKeyONULFPKSGOIEBW-KSSFIOAISA-N
MW354.48 g/mol
LogP3.80
Rot. Bonds6

About 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide

2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide (PubChem CID 25397114) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide
PubChem CID25397114
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide
SMILESCC[C@@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-2-14(15-8-4-3-5-9-15)13-21-19(23)12-18-20(24)22-16-10-6-7-11-17(16)25-18/h3-11,14,18H,2,12-13H2,1H3,(H,21,23)(H,22,24)/t14-,18-/m0/s1
InChIKeyONULFPKSGOIEBW-KSSFIOAISA-N
XLogP3.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-[2-(ethylamino)-2-oxoethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9224548
N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 26006980
2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 26006978
N-[2-(dimethylamino)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 40591425
(2S)-N-ethyl-2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide
CID 8751407
(2R)-N-ethyl-2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide
CID 8751402
N-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55948234
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-phenylsulfanylpropyl)acetamide
CID 51161456
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9218867
N-(2-ethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 701747

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide?
The IUPAC name of 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide (CID 25397114) is 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide.
What is the SMILES notation for 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide?
The canonical SMILES for 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide is CC[C@@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccccc1.
What is the InChIKey of 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide?
The InChIKey is ONULFPKSGOIEBW-KSSFIOAISA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-2-14(15-8-4-3-5-9-15)13-21-19(23)12-18-20(24)22-16-10-6-7-11-17(16)25-18/h3-11,14,18H,2,12-13H2,1H3,(H,21,23)(H,22,24)/t14-,18-/m0/s1.
What are the key properties of 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide?
2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide has a molecular weight of 354.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide is sourced from PubChem (CID 25397114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).