N-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide

C23H21N3O4S — CID 55924427

IUPACN-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C23H21N3O4S/c27-21(12-20-23(29)26-18-8-1-2-9-19(18)31-20)24-13-15-5-3-6-16(11-15)22(28)25-14-17-7-4-10-30-17/h1-11,20H,12-14H2,(H,24,27)(H,25,28)(H,26,29)
InChIKeyPCGNHGBNKFSKAC-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.33
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide

N-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide (PubChem CID 55924427) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide
PubChem CID55924427
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C23H21N3O4S/c27-21(12-20-23(29)26-18-8-1-2-9-19(18)31-20)24-13-15-5-3-6-16(11-15)22(28)25-14-17-7-4-10-30-17/h1-11,20H,12-14H2,(H,24,27)(H,25,28)(H,26,29)
InChIKeyPCGNHGBNKFSKAC-UHFFFAOYSA-N
XLogP3.33
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide with MolForge

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1481831
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 17493187
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7274404
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 60532837
3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55847820
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 167813480
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55923658
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877392
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55869301
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide (CID 55924427) is N-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide is O=C(CC1Sc2ccccc2NC1=O)NCc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide?
The InChIKey is PCGNHGBNKFSKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c27-21(12-20-23(29)26-18-8-1-2-9-19(18)31-20)24-13-15-5-3-6-16(11-15)22(28)25-14-17-7-4-10-30-17/h1-11,20H,12-14H2,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide?
N-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide has a molecular weight of 435.51 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 55924427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).