N-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide

C19H17FN2O2S — CID 22421974

IUPACN-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2
InChIInChI=1S/C19H17FN2O2S/c20-15-4-2-1-3-13(15)10-22-16-9-12(19(24)21-14-6-7-14)5-8-17(16)25-11-18(22)23/h1-5,8-9,14H,6-7,10-11H2,(H,21,24)
InChIKeyKLXBLUVDOJTELI-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.36
Rot. Bonds4

About N-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide

N-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide (PubChem CID 22421974) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
PubChem CID22421974
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC NameN-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2
InChIInChI=1S/C19H17FN2O2S/c20-15-4-2-1-3-13(15)10-22-16-9-12(19(24)21-14-6-7-14)5-8-17(16)25-11-18(22)23/h1-5,8-9,14H,6-7,10-11H2,(H,21,24)
InChIKeyKLXBLUVDOJTELI-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5064081
4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4090601
4-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5077617
N-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4168928
4-[(2-fluorophenyl)methyl]-3-oxo-N-[(1-phenylpiperidin-3-yl)methyl]-1,4-benzothiazine-6-carboxamide
CID 146525588
N-cyclooctyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4156781
dimethyl-[2-[[4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]ethyl]azanium
CID 3584464
4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-N-(2-phenylethyl)-1,4-benzothiazine-6-carboxamide
CID 3369825
N-(cyclohexylmethyl)-4-[(2,3-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 146579257
3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 3157072
2-[[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]ethyl-diethylazanium
CID 2052753
4-benzyl-N-(3-ethoxypropyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4095111

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide (CID 22421974) is N-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide is O=C(NC1CC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2.
What is the InChIKey of N-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
The InChIKey is KLXBLUVDOJTELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c20-15-4-2-1-3-13(15)10-22-16-9-12(19(24)21-14-6-7-14)5-8-17(16)25-11-18(22)23/h1-5,8-9,14H,6-7,10-11H2,(H,21,24).
What are the key properties of N-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
N-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 22421974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).