N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide

C18H15F3N2O3S — CID 2870545

IUPACN-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1
InChIInChI=1S/C18H15F3N2O3S/c1-26-12-5-3-11(4-6-12)22-16(24)9-15-17(25)23-13-8-10(18(19,20)21)2-7-14(13)27-15/h2-8,15H,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyXSSHYOHVIWKMSD-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.16
Rot. Bonds4

About N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide

N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 2870545) has the molecular formula C18H15F3N2O3S and a molecular weight of 396.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID2870545
Molecular FormulaC18H15F3N2O3S
Molecular Weight396.39 g/mol
Exact Mass396.08
IUPAC NameN-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1
InChIInChI=1S/C18H15F3N2O3S/c1-26-12-5-3-11(4-6-12)22-16(24)9-15-17(25)23-13-8-10(18(19,20)21)2-7-14(13)27-15/h2-8,15H,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyXSSHYOHVIWKMSD-UHFFFAOYSA-N
XLogP4.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide (CID 2870545) is N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide is COc1ccc(NC(=O)CC2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is XSSHYOHVIWKMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3S/c1-26-12-5-3-11(4-6-12)22-16(24)9-15-17(25)23-13-8-10(18(19,20)21)2-7-14(13)27-15/h2-8,15H,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide?
N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 396.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 2870545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).