N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C15H14N2O5S — CID 20898583

IUPACN-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NCc1ccco1)c1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C15H14N2O5S/c18-14-6-8-23(20,21)17(14)12-4-1-3-11(9-12)15(19)16-10-13-5-2-7-22-13/h1-5,7,9H,6,8,10H2,(H,16,19)
InChIKeyGSXZUOSFROZDQP-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.28
Rot. Bonds4

About N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 20898583) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID20898583
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NCc1ccco1)c1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C15H14N2O5S/c18-14-6-8-23(20,21)17(14)12-4-1-3-11(9-12)15(19)16-10-13-5-2-7-22-13/h1-5,7,9H,6,8,10H2,(H,16,19)
InChIKeyGSXZUOSFROZDQP-UHFFFAOYSA-N
XLogP1.28
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55876377
N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20898578
N-[2-(4-methylpiperidin-1-yl)propyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110301781
3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55878043
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
3-[(1R,2S,6S,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(furan-2-ylmethyl)benzamide
CID 6996871
N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053497
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 22695295
1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053947
N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3235861

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 20898583) is N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is O=C(NCc1ccco1)c1cccc(N2C(=O)CCS2(=O)=O)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is GSXZUOSFROZDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c18-14-6-8-23(20,21)17(14)12-4-1-3-11(9-12)15(19)16-10-13-5-2-7-22-13/h1-5,7,9H,6,8,10H2,(H,16,19).
What are the key properties of N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 334.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 20898583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).