4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide

C21H20N2O4S — CID 142502197

IUPAC4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1)CCS2(=O)=O
InChIInChI=1S/C21H20N2O4S/c24-21(22-14-18-7-4-11-27-18)17-8-9-20-19(13-17)23(10-12-28(20,25)26)15-16-5-2-1-3-6-16/h1-9,11,13H,10,12,14-15H2,(H,22,24)
InChIKeyWPBKWYWFOONSDO-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.00
Rot. Bonds5

About 4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide

4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide (PubChem CID 142502197) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide
PubChem CID142502197
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1)CCS2(=O)=O
InChIInChI=1S/C21H20N2O4S/c24-21(22-14-18-7-4-11-27-18)17-8-9-20-19(13-17)23(10-12-28(20,25)26)15-16-5-2-1-3-6-16/h1-9,11,13H,10,12,14-15H2,(H,22,24)
InChIKeyWPBKWYWFOONSDO-UHFFFAOYSA-N
XLogP3.00
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide with MolForge

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Related Compounds

4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide
CID 91894716
3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 7686318
(11S)-5-benzyl-N-(furan-2-ylmethyl)-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 92663103
3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55878043
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
5-benzyl-N-(furan-2-ylmethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077083
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55876377
3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877403
5-benzyl-N-(furan-2-ylmethyl)-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 23770832
5-benzyl-N-(furan-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50798044
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide?
The IUPAC name of 4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide (CID 142502197) is 4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide?
The canonical SMILES for 4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide is O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1)CCS2(=O)=O.
What is the InChIKey of 4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide?
The InChIKey is WPBKWYWFOONSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c24-21(22-14-18-7-4-11-27-18)17-8-9-20-19(13-17)23(10-12-28(20,25)26)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)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide?
4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 142502197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).