N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C22H25N3O3S — CID 55977401

IUPACN-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C22H25N3O3S/c26-21(15-20-22(27)24-18-3-1-2-4-19(18)29-20)23-17-7-5-16(6-8-17)9-10-25-11-13-28-14-12-25/h1-8,20H,9-15H2,(H,23,26)(H,24,27)
InChIKeySNSWKYVAPSQAOX-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.00
Rot. Bonds6

About N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 55977401) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID55977401
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C22H25N3O3S/c26-21(15-20-22(27)24-18-3-1-2-4-19(18)29-20)23-17-7-5-16(6-8-17)9-10-25-11-13-28-14-12-25/h1-8,20H,9-15H2,(H,23,26)(H,24,27)
InChIKeySNSWKYVAPSQAOX-UHFFFAOYSA-N
XLogP3.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide with MolForge

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Related Compounds

2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2960294
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1069348
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 2550456
2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(4-sulfamoylphenyl)acetamide
CID 2242401
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55584393
N-(3,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700800
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9495359
N-(3-chloro-4-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 4116869
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7455818
N-ethyl-4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzamide
CID 55867373
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 40834810
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 55977401) is N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)Nc1ccc(CCN2CCOCC2)cc1.
What is the InChIKey of N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is SNSWKYVAPSQAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c26-21(15-20-22(27)24-18-3-1-2-4-19(18)29-20)23-17-7-5-16(6-8-17)9-10-25-11-13-28-14-12-25/h1-8,20H,9-15H2,(H,23,26)(H,24,27).
What are the key properties of N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 411.53 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 55977401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).