2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C26H29N3O3S — CID 50777147

IUPAC2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccc(C(=O)N3CCCCC3)cc21)NC1CCCc2ccccc21
InChIInChI=1S/C26H29N3O3S/c30-24(27-21-10-6-8-18-7-2-3-9-20(18)21)16-29-22-15-19(11-12-23(22)33-17-25(29)31)26(32)28-13-4-1-5-14-28/h2-3,7,9,11-12,15,21H,1,4-6,8,10,13-14,16-17H2,(H,27,30)
InChIKeyWNGYIZVNXVKCHZ-UHFFFAOYSA-N
MW463.60 g/mol
LogP3.95
Rot. Bonds4

About 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 50777147) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID50777147
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccc(C(=O)N3CCCCC3)cc21)NC1CCCc2ccccc21
InChIInChI=1S/C26H29N3O3S/c30-24(27-21-10-6-8-18-7-2-3-9-20(18)21)16-29-22-15-19(11-12-23(22)33-17-25(29)31)26(32)28-13-4-1-5-14-28/h2-3,7,9,11-12,15,21H,1,4-6,8,10,13-14,16-17H2,(H,27,30)
InChIKeyWNGYIZVNXVKCHZ-UHFFFAOYSA-N
XLogP3.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 50777140
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 55379612
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 50777363
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7819453
N-(2,3-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 50777360
N-(3,5-dimethylphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 50777225
N-(3-methoxypropyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 50777246
2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20958735
N-(3,5-dimethoxyphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 50777240
N-[2-(4-chlorophenyl)ethyl]-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 50777208
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7688342
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 50777147) is 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCCC3)cc21)NC1CCCc2ccccc21.
What is the InChIKey of 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is WNGYIZVNXVKCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c30-24(27-21-10-6-8-18-7-2-3-9-20(18)21)16-29-22-15-19(11-12-23(22)33-17-25(29)31)26(32)28-13-4-1-5-14-28/h2-3,7,9,11-12,15,21H,1,4-6,8,10,13-14,16-17H2,(H,27,30).
What are the key properties of 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 463.60 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 50777147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).