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

C23H22FN3O3S — CID 146579297

IUPAC2-(dimethylamino)-4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCN(C)C1Sc2ccc(C(=O)NCc3ccco3)cc2N(Cc2ccccc2F)C1=O
InChIInChI=1S/C23H22FN3O3S/c1-26(2)23-22(29)27(14-16-6-3-4-8-18(16)24)19-12-15(9-10-20(19)31-23)21(28)25-13-17-7-5-11-30-17/h3-12,23H,13-14H2,1-2H3,(H,25,28)
InChIKeyVLKBEJRADSBLJR-UHFFFAOYSA-N
MW439.51 g/mol
LogP3.88
Rot. Bonds6

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

2-(dimethylamino)-4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide (PubChem CID 146579297) has the molecular formula C23H22FN3O3S and a molecular weight of 439.51 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
PubChem CID146579297
Molecular FormulaC23H22FN3O3S
Molecular Weight439.51 g/mol
Exact Mass439.14
IUPAC Name2-(dimethylamino)-4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCN(C)C1Sc2ccc(C(=O)NCc3ccco3)cc2N(Cc2ccccc2F)C1=O
InChIInChI=1S/C23H22FN3O3S/c1-26(2)23-22(29)27(14-16-6-3-4-8-18(16)24)19-12-15(9-10-20(19)31-23)21(28)25-13-17-7-5-11-30-17/h3-12,23H,13-14H2,1-2H3,(H,25,28)
InChIKeyVLKBEJRADSBLJR-UHFFFAOYSA-N
XLogP3.88
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053947
3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 137367601
4-[(2-cyanophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 146579072
4-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-3-oxo-1,4-benzothiazine-7-carboxamide
CID 170745385
4-[(2-fluorophenyl)methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060490
2-N-[(2-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085013
N-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 4668742
4-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 146579296
N-(furan-2-ylmethyl)-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazine-6-carboxamide
CID 142502310
4-[(2-chloro-3-decoxy-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-3-oxo-1,4-benzothiazine-7-carboxamide
CID 170745392
10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide
CID 67922725
N-[(4-chlorophenyl)methyl]-5-[(2-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 4672367

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide (CID 146579297) is 2-(dimethylamino)-4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide is CN(C)C1Sc2ccc(C(=O)NCc3ccco3)cc2N(Cc2ccccc2F)C1=O.
What is the InChIKey of 2-(dimethylamino)-4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
The InChIKey is VLKBEJRADSBLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3S/c1-26(2)23-22(29)27(14-16-6-3-4-8-18(16)24)19-12-15(9-10-20(19)31-23)21(28)25-13-17-7-5-11-30-17/h3-12,23H,13-14H2,1-2H3,(H,25,28).
What are the key properties of 2-(dimethylamino)-4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
2-(dimethylamino)-4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide has a molecular weight of 439.51 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 146579297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).