N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C19H19FN2O3S — CID 18115840

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)CN2C(=O)CSc3ccccc32)cc1F
InChIInChI=1S/C19H19FN2O3S/c1-21(10-13-7-8-16(25-2)14(20)9-13)18(23)11-22-15-5-3-4-6-17(15)26-12-19(22)24/h3-9H,10-12H2,1-2H3
InChIKeyNFLSZJCTYNNVRN-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.93
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 18115840) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID18115840
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)CN2C(=O)CSc3ccccc32)cc1F
InChIInChI=1S/C19H19FN2O3S/c1-21(10-13-7-8-16(25-2)14(20)9-13)18(23)11-22-15-5-3-4-6-17(15)26-12-19(22)24/h3-9H,10-12H2,1-2H3
InChIKeyNFLSZJCTYNNVRN-UHFFFAOYSA-N
XLogP2.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 17438535
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18196008
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 36846103
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 92801693
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 8673524
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 38881217
3-[methyl-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]propanoic acid
CID 119232485
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 55373897
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 119653152
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18115832
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 17496098

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 18115840) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is COc1ccc(CN(C)C(=O)CN2C(=O)CSc3ccccc32)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is NFLSZJCTYNNVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-21(10-13-7-8-16(25-2)14(20)9-13)18(23)11-22-15-5-3-4-6-17(15)26-12-19(22)24/h3-9H,10-12H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 374.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 18115840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).