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

C24H20F2N2O4S — CID 55439430

IUPACN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCOc1ccc(-c2cc(NC(=O)CC3Sc4ccccc4NC3=O)ccc2OC(F)F)cc1
InChIInChI=1S/C24H20F2N2O4S/c1-31-16-9-6-14(7-10-16)17-12-15(8-11-19(17)32-24(25)26)27-22(29)13-21-23(30)28-18-4-2-3-5-20(18)33-21/h2-12,21,24H,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyYIYWHOPYEWECNR-UHFFFAOYSA-N
MW470.50 g/mol
LogP5.41
Rot. Bonds7

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

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 55439430) has the molecular formula C24H20F2N2O4S and a molecular weight of 470.50 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID55439430
Molecular FormulaC24H20F2N2O4S
Molecular Weight470.50 g/mol
Exact Mass470.11
IUPAC NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCOc1ccc(-c2cc(NC(=O)CC3Sc4ccccc4NC3=O)ccc2OC(F)F)cc1
InChIInChI=1S/C24H20F2N2O4S/c1-31-16-9-6-14(7-10-16)17-12-15(8-11-19(17)32-24(25)26)27-22(29)13-21-23(30)28-18-4-2-3-5-20(18)33-21/h2-12,21,24H,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyYIYWHOPYEWECNR-UHFFFAOYSA-N
XLogP5.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1289338
N-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 8000269
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7300483
4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]benzamide
CID 55945590
N-(3,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700800
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylbutanamide
CID 24576079
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 4879034
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7455818
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 46813370
N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2938084
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 2622182
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2960294

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 55439430) is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is COc1ccc(-c2cc(NC(=O)CC3Sc4ccccc4NC3=O)ccc2OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is YIYWHOPYEWECNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O4S/c1-31-16-9-6-14(7-10-16)17-12-15(8-11-19(17)32-24(25)26)27-22(29)13-21-23(30)28-18-4-2-3-5-20(18)33-21/h2-12,21,24H,13H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 470.50 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 55439430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).