N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C24H18F2N4O2S — CID 24599606

IUPACN-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1
InChIInChI=1S/C24H18F2N4O2S/c25-24(26)30-18-6-2-1-5-17(18)28-23(30)15-9-11-16(12-10-15)27-21(31)13-29-19-7-3-4-8-20(19)33-14-22(29)32/h1-12,24H,13-14H2,(H,27,31)
InChIKeyKRFVCQZOZONMJE-UHFFFAOYSA-N
MW464.50 g/mol
LogP5.18
Rot. Bonds5

About N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 24599606) has the molecular formula C24H18F2N4O2S and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID24599606
Molecular FormulaC24H18F2N4O2S
Molecular Weight464.50 g/mol
Exact Mass464.11
IUPAC NameN-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1
InChIInChI=1S/C24H18F2N4O2S/c25-24(26)30-18-6-2-1-5-17(18)28-23(30)15-9-11-16(12-10-15)27-21(31)13-29-19-7-3-4-8-20(19)33-14-22(29)32/h1-12,24H,13-14H2,(H,27,31)
InChIKeyKRFVCQZOZONMJE-UHFFFAOYSA-N
XLogP5.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51073879
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 51195005
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 55473951
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 55480535
2-cyclopent-2-en-1-yl-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]acetamide
CID 24599608
[2-(4-methylanilino)-2-oxoethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 8673538
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide
CID 17438775
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 16581032
N-(1H-indazol-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 36561663
N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903
N-(5-methyl-2-pyridinyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18106820
N-(benzimidazol-1-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18103981

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 24599606) is N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1.
What is the InChIKey of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is KRFVCQZOZONMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O2S/c25-24(26)30-18-6-2-1-5-17(18)28-23(30)15-9-11-16(12-10-15)27-21(31)13-29-19-7-3-4-8-20(19)33-14-22(29)32/h1-12,24H,13-14H2,(H,27,31).
What are the key properties of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 464.50 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 24599606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).