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

C21H20N2O2S — CID 6620067

IUPAC4-benzyl-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1)CCS2
InChIInChI=1S/C21H20N2O2S/c24-21(22-14-18-7-4-11-25-18)17-8-9-20-19(13-17)23(10-12-26-20)15-16-5-2-1-3-6-16/h1-9,11,13H,10,12,14-15H2,(H,22,24)
InChIKeyHXZVPKSVKHSKQJ-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.32
Rot. Bonds5

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

4-benzyl-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 6620067) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-benzyl-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID6620067
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name4-benzyl-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1)CCS2
InChIInChI=1S/C21H20N2O2S/c24-21(22-14-18-7-4-11-25-18)17-8-9-20-19(13-17)23(10-12-26-20)15-16-5-2-1-3-6-16/h1-9,11,13H,10,12,14-15H2,(H,22,24)
InChIKeyHXZVPKSVKHSKQJ-UHFFFAOYSA-N
XLogP4.32
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.32
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)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 4-benzyl-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 6620067) is 4-benzyl-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 4-benzyl-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 4-benzyl-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide is O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1)CCS2.
What is the InChIKey of 4-benzyl-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is HXZVPKSVKHSKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-21(22-14-18-7-4-11-25-18)17-8-9-20-19(13-17)23(10-12-26-20)15-16-5-2-1-3-6-16/h1-9,11,13H,10,12,14-15H2,(H,22,24).
What are the key properties of 4-benzyl-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
4-benzyl-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.32, 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)-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 6620067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).