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

C19H18F2N2O3S — CID 17425786

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18F2N2O3S/c20-19(21)26-13-7-5-12(6-8-13)9-10-22-17(24)11-16-18(25)23-14-3-1-2-4-15(14)27-16/h1-8,16,19H,9-11H2,(H,22,24)(H,23,25)
InChIKeyQDBVGUJHQMXCJE-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.45
Rot. Bonds7

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

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 17425786) has the molecular formula C19H18F2N2O3S and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID17425786
Molecular FormulaC19H18F2N2O3S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18F2N2O3S/c20-19(21)26-13-7-5-12(6-8-13)9-10-22-17(24)11-16-18(25)23-14-3-1-2-4-15(14)27-16/h1-8,16,19H,9-11H2,(H,22,24)(H,23,25)
InChIKeyQDBVGUJHQMXCJE-UHFFFAOYSA-N
XLogP3.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 17425786) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is QDBVGUJHQMXCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O3S/c20-19(21)26-13-7-5-12(6-8-13)9-10-22-17(24)11-16-18(25)23-14-3-1-2-4-15(14)27-16/h1-8,16,19H,9-11H2,(H,22,24)(H,23,25).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 392.43 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 17425786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).