N-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide

C23H21N3O4S — CID 24563044

IUPACN-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C23H21N3O4S/c27-21(11-12-26-19-9-3-4-10-20(19)31-15-22(26)28)25-18-8-2-1-7-17(18)23(29)24-14-16-6-5-13-30-16/h1-10,13H,11-12,14-15H2,(H,24,29)(H,25,27)
InChIKeyNFRYFTTVBVNIOL-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.68
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide

N-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide (PubChem CID 24563044) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide
PubChem CID24563044
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C23H21N3O4S/c27-21(11-12-26-19-9-3-4-10-20(19)31-15-22(26)28)25-18-8-2-1-7-17(18)23(29)24-14-16-6-5-13-30-16/h1-10,13H,11-12,14-15H2,(H,24,29)(H,25,27)
InChIKeyNFRYFTTVBVNIOL-UHFFFAOYSA-N
XLogP3.68
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide
CID 56514862
N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9192811
N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide
CID 34653312
N-[4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43038209
2-(3-cyclopentylpropanoylamino)-N-(furan-2-ylmethyl)benzamide
CID 16576953
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 3968650
3-(3-oxo-1,4-benzothiazin-4-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 46644184
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
N-(4-chlorophenyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide
CID 55466378
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide (CID 24563044) is N-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide is O=C(CCN1C(=O)CSc2ccccc21)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide?
The InChIKey is NFRYFTTVBVNIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c27-21(11-12-26-19-9-3-4-10-20(19)31-15-22(26)28)25-18-8-2-1-7-17(18)23(29)24-14-16-6-5-13-30-16/h1-10,13H,11-12,14-15H2,(H,24,29)(H,25,27).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide?
N-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide has a molecular weight of 435.51 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide is sourced from PubChem (CID 24563044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).