2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide

C17H16ClN3O2S — CID 55957891

IUPAC2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(Cc1ccccn1)C(=O)CC1Sc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C17H16ClN3O2S/c1-21(10-12-4-2-3-7-19-12)16(22)9-15-17(23)20-13-8-11(18)5-6-14(13)24-15/h2-8,15H,9-10H2,1H3,(H,20,23)
InChIKeyAKFLIAJJURBFSR-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.20
Rot. Bonds4

About 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 55957891) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID55957891
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(Cc1ccccn1)C(=O)CC1Sc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C17H16ClN3O2S/c1-21(10-12-4-2-3-7-19-12)16(22)9-15-17(23)20-13-8-11(18)5-6-14(13)24-15/h2-8,15H,9-10H2,1H3,(H,20,23)
InChIKeyAKFLIAJJURBFSR-UHFFFAOYSA-N
XLogP3.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-Chlorophenyl)-2-{2-oxo-1H,2H,3H-pyrido[2,3-B][1,4]thiazin-1-YL}acetamide
CID 20889981
3-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 1085916
3-(4-chlorophenylthio)-N-(3-pyridyl)propanamide
CID 883013
1-(3-Chlorophenyl)-4-[(2-pyridinylthio)acetyl]piperazine
CID 2197758
2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(3-pyridinyl)propanamide
CID 4661609
2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(3-pyridinyl)acetamide
CID 11837209
1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 44271229
2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 800497
3-(4-chlorophenyl)sulfanyl-3-methyl-N-pyridin-3-ylbutanamide
CID 2814928
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 4120056
2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 5069808
N-[(3-Chlorophenyl)methyl]-4-oxo-4-{1H,2H,3H-pyrido[2,3-B][1,4]thiazin-1-YL}butanamide
CID 20886341

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide (CID 55957891) is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide is CN(Cc1ccccn1)C(=O)CC1Sc2ccc(Cl)cc2NC1=O.
What is the InChIKey of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is AKFLIAJJURBFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-21(10-12-4-2-3-7-19-12)16(22)9-15-17(23)20-13-8-11(18)5-6-14(13)24-15/h2-8,15H,9-10H2,1H3,(H,20,23).
What are the key properties of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide?
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 361.85 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 55957891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).