N-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide

C20H16N2O3S — CID 4668742

IUPACN-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
SMILESCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCc3ccco3)cc21
InChIInChI=1S/C20H16N2O3S/c1-22-16-11-13(19(23)21-12-14-5-4-10-25-14)8-9-18(16)26-17-7-3-2-6-15(17)20(22)24/h2-11H,12H2,1H3,(H,21,23)
InChIKeyVWCMGJXNHFEARX-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.95
Rot. Bonds3

About N-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide

N-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide (PubChem CID 4668742) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
PubChem CID4668742
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC NameN-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
SMILESCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCc3ccco3)cc21
InChIInChI=1S/C20H16N2O3S/c1-22-16-11-13(19(23)21-12-14-5-4-10-25-14)8-9-18(16)26-17-7-3-2-6-15(17)20(22)24/h2-11H,12H2,1H3,(H,21,23)
InChIKeyVWCMGJXNHFEARX-UHFFFAOYSA-N
XLogP3.95
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(4-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 144786176
10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide
CID 67922725
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
4-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 146579296
(11S)-5-benzyl-N-(furan-2-ylmethyl)-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 92663103
3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877403
2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 4596269
N-(furan-2-ylmethyl)-4-[2-(3-methylphenyl)ethyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 161084593
(2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)-1,4-benzothiazine-6-carboxamide
CID 46250478
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 38463251
(2E)-2-benzylidene-N-[(2-chlorophenyl)methyl]-4-methyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 46250051
4-[(Z)-[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-(furan-2-ylmethyl)benzamide
CID 46258788

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide (CID 4668742) is N-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide is CN1C(=O)c2ccccc2Sc2ccc(C(=O)NCc3ccco3)cc21.
What is the InChIKey of N-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide?
The InChIKey is VWCMGJXNHFEARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-22-16-11-13(19(23)21-12-14-5-4-10-25-14)8-9-18(16)26-17-7-3-2-6-15(17)20(22)24/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide?
N-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide is sourced from PubChem (CID 4668742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).