(6-fluoro-2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone

C23H20FNO4S — CID 46908308

IUPAC(6-fluoro-2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone
SMILESCCCOC1=C(C(=O)c2ccc3ccccc3c2)N(C)S(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C23H20FNO4S/c1-3-12-29-23-19-14-18(24)10-11-20(19)30(27,28)25(2)21(23)22(26)17-9-8-15-6-4-5-7-16(15)13-17/h4-11,13-14H,3,12H2,1-2H3
InChIKeyMEYNGNYFHWAWOF-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.59
Rot. Bonds5

About (6-fluoro-2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone

(6-fluoro-2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone (PubChem CID 46908308) has the molecular formula C23H20FNO4S and a molecular weight of 425.48 g/mol. Its IUPAC name is (6-fluoro-2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(6-fluoro-2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone
PubChem CID46908308
Molecular FormulaC23H20FNO4S
Molecular Weight425.48 g/mol
Exact Mass425.11
IUPAC Name(6-fluoro-2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone
SMILESCCCOC1=C(C(=O)c2ccc3ccccc3c2)N(C)S(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C23H20FNO4S/c1-3-12-29-23-19-14-18(24)10-11-20(19)30(27,28)25(2)21(23)22(26)17-9-8-15-6-4-5-7-16(15)13-17/h4-11,13-14H,3,12H2,1-2H3
InChIKeyMEYNGNYFHWAWOF-UHFFFAOYSA-N
XLogP4.59
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (6-fluoro-2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone (CID 46908308) is (6-fluoro-2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (6-fluoro-2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (6-fluoro-2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone is CCCOC1=C(C(=O)c2ccc3ccccc3c2)N(C)S(=O)(=O)c2ccc(F)cc21.
What is the InChIKey of (6-fluoro-2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone?
The InChIKey is MEYNGNYFHWAWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO4S/c1-3-12-29-23-19-14-18(24)10-11-20(19)30(27,28)25(2)21(23)22(26)17-9-8-15-6-4-5-7-16(15)13-17/h4-11,13-14H,3,12H2,1-2H3.
What are the key properties of (6-fluoro-2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone?
(6-fluoro-2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone has a molecular weight of 425.48 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-methyl-1,1-dioxo-4-propoxy-1λ6,2-benzothiazin-3-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 46908308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).