3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

C23H23N3O5S — CID 55876377

IUPAC3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1cccc(C(=O)NCc2ccco2)c1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C23H23N3O5S/c27-22(25-16-21-9-3-11-31-21)18-6-1-5-17(13-18)15-24-23(28)19-7-2-8-20(14-19)26-10-4-12-32(26,29)30/h1-3,5-9,11,13-14H,4,10,12,15-16H2,(H,24,28)(H,25,27)
InChIKeyJKWFTWBNNKQRIK-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.68
Rot. Bonds7

About 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 55876377) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID55876377
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1cccc(C(=O)NCc2ccco2)c1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C23H23N3O5S/c27-22(25-16-21-9-3-11-31-21)18-6-1-5-17(13-18)15-24-23(28)19-7-2-8-20(14-19)26-10-4-12-32(26,29)30/h1-3,5-9,11,13-14H,4,10,12,15-16H2,(H,24,28)(H,25,27)
InChIKeyJKWFTWBNNKQRIK-UHFFFAOYSA-N
XLogP2.68
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide with MolForge

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Related Compounds

3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55878043
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide
CID 46475375
N-[2-(benzylamino)-2-oxoethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55676305
3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 7659003
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 41287996
N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20898583
3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 7686318
4-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-2-methoxybenzoic acid
CID 166181534
3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55744256
N-(furan-2-ylmethyl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347158
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (CID 55876377) is 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1cccc(C(=O)NCc2ccco2)c1)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is JKWFTWBNNKQRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c27-22(25-16-21-9-3-11-31-21)18-6-1-5-17(13-18)15-24-23(28)19-7-2-8-20(14-19)26-10-4-12-32(26,29)30/h1-3,5-9,11,13-14H,4,10,12,15-16H2,(H,24,28)(H,25,27).
What are the key properties of 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 453.52 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 55876377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).