4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide

C21H18N2O3S — CID 4095300

IUPAC4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2
InChIInChI=1S/C21H18N2O3S/c24-20-14-27-19-9-8-16(21(25)22-12-17-7-4-10-26-17)11-18(19)23(20)13-15-5-2-1-3-6-15/h1-11H,12-14H2,(H,22,25)
InChIKeyNPXFXKSFRQGRNO-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.85
Rot. Bonds5

About 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide

4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide (PubChem CID 4095300) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
PubChem CID4095300
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2
InChIInChI=1S/C21H18N2O3S/c24-20-14-27-19-9-8-16(21(25)22-12-17-7-4-10-26-17)11-18(19)23(20)13-15-5-2-1-3-6-15/h1-11H,12-14H2,(H,22,25)
InChIKeyNPXFXKSFRQGRNO-UHFFFAOYSA-N
XLogP3.85
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide (CID 4095300) is 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide is O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2.
What is the InChIKey of 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
The InChIKey is NPXFXKSFRQGRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c24-20-14-27-19-9-8-16(21(25)22-12-17-7-4-10-26-17)11-18(19)23(20)13-15-5-2-1-3-6-15/h1-11H,12-14H2,(H,22,25).
What are the key properties of 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 4095300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).