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

C17H16ClN3O2S — CID 16613109

IUPAC2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyridin-3-ylethyl)acetamide
SMILESCC(NC(=O)CC1Sc2ccc(Cl)cc2NC1=O)c1cccnc1
InChIInChI=1S/C17H16ClN3O2S/c1-10(11-3-2-6-19-9-11)20-16(22)8-15-17(23)21-13-7-12(18)4-5-14(13)24-15/h2-7,9-10,15H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyQQIWZMBKFAKZOZ-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.42
Rot. Bonds4

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

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyridin-3-ylethyl)acetamide (PubChem CID 16613109) 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-(1-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyridin-3-ylethyl)acetamide
PubChem CID16613109
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyridin-3-ylethyl)acetamide
SMILESCC(NC(=O)CC1Sc2ccc(Cl)cc2NC1=O)c1cccnc1
InChIInChI=1S/C17H16ClN3O2S/c1-10(11-3-2-6-19-9-11)20-16(22)8-15-17(23)21-13-7-12(18)4-5-14(13)24-15/h2-7,9-10,15H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyQQIWZMBKFAKZOZ-UHFFFAOYSA-N
XLogP3.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyridin-3-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55961543
(2S)-2-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]hexanoic acid
CID 120614277
N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 52510370
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7276919
N-(3-aminobutyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide;hydrochloride
CID 119495534
methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 40591772
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-[(1S)-1-(4-bromophenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9218867
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]acetamide
CID 55951651
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 24619649
2-(2,5-dichlorophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163135

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyridin-3-ylethyl)acetamide (CID 16613109) is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyridin-3-ylethyl)acetamide is CC(NC(=O)CC1Sc2ccc(Cl)cc2NC1=O)c1cccnc1.
What is the InChIKey of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyridin-3-ylethyl)acetamide?
The InChIKey is QQIWZMBKFAKZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-10(11-3-2-6-19-9-11)20-16(22)8-15-17(23)21-13-7-12(18)4-5-14(13)24-15/h2-7,9-10,15H,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyridin-3-ylethyl)acetamide?
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyridin-3-ylethyl)acetamide has a molecular weight of 361.85 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 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-(1-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 16613109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).