2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide

C20H21ClFN3O2S — CID 24619649

IUPAC2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
SMILESCN(C)C(CNC(=O)CC1Sc2ccc(Cl)cc2NC1=O)c1cccc(F)c1
InChIInChI=1S/C20H21ClFN3O2S/c1-25(2)16(12-4-3-5-14(22)8-12)11-23-19(26)10-18-20(27)24-15-9-13(21)6-7-17(15)28-18/h3-9,16,18H,10-11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyXSNNORDSOYEGKE-UHFFFAOYSA-N
MW421.93 g/mol
LogP3.70
Rot. Bonds6

About 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide (PubChem CID 24619649) has the molecular formula C20H21ClFN3O2S and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
PubChem CID24619649
Molecular FormulaC20H21ClFN3O2S
Molecular Weight421.93 g/mol
Exact Mass421.10
IUPAC Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
SMILESCN(C)C(CNC(=O)CC1Sc2ccc(Cl)cc2NC1=O)c1cccc(F)c1
InChIInChI=1S/C20H21ClFN3O2S/c1-25(2)16(12-4-3-5-14(22)8-12)11-23-19(26)10-18-20(27)24-15-9-13(21)6-7-17(15)28-18/h3-9,16,18H,10-11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyXSNNORDSOYEGKE-UHFFFAOYSA-N
XLogP3.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]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-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 46522671
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluorophenyl)acetamide
CID 51284892
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 24654793
3-[[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]-N-methylbenzamide
CID 55587360
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 46419114
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-phenylprop-2-ynyl)acetamide
CID 51332737
2-(2-chloro-6-fluorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 51179425
2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 43017004
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(cyclobutylmethyl)acetamide
CID 51078953
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyridin-3-ylethyl)acetamide
CID 16613109
methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 40591772
2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide
CID 25397114

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide (CID 24619649) is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide is CN(C)C(CNC(=O)CC1Sc2ccc(Cl)cc2NC1=O)c1cccc(F)c1.
What is the InChIKey of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide?
The InChIKey is XSNNORDSOYEGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2S/c1-25(2)16(12-4-3-5-14(22)8-12)11-23-19(26)10-18-20(27)24-15-9-13(21)6-7-17(15)28-18/h3-9,16,18H,10-11H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide?
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide has a molecular weight of 421.93 g/mol, XLogP of 3.70, 6 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-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 24619649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).