5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid

C18H20N2O6S — CID 119222188

IUPAC5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1C(=O)O
InChIInChI=1S/C18H20N2O6S/c1-12-16(18(22)23)10-15(26-12)11-19(2)17(21)13-5-3-6-14(9-13)20-7-4-8-27(20,24)25/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,22,23)
InChIKeyDNOQLFABNLJDME-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.10
Rot. Bonds5

About 5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119222188) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is 5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119222188
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1C(=O)O
InChIInChI=1S/C18H20N2O6S/c1-12-16(18(22)23)10-15(26-12)11-19(2)17(21)13-5-3-6-14(9-13)20-7-4-8-27(20,24)25/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,22,23)
InChIKeyDNOQLFABNLJDME-UHFFFAOYSA-N
XLogP2.10
TPSA108.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid with MolForge

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 55499228
5-[[(3-ethylsulfonylbenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523015
5-[[[3-(cyclohexanecarbonylamino)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222065
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 134012235
5-[[[3-(methanesulfonamido)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 75429210
5-[[2,3-dihydro-1,4-benzodioxine-6-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222009
N-benzyl-N-[(2R)-butan-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 30173781
5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222473
2-methyl-5-[[methyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]furan-3-carboxylic acid
CID 119222801
N-[(1S)-1-cyclopropylethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 97310886
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 95286048
N-[1-(4-chlorophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 134004004

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 119222188) is 5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN(C)C(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1C(=O)O.
What is the InChIKey of 5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is DNOQLFABNLJDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-12-16(18(22)23)10-15(26-12)11-19(2)17(21)13-5-3-6-14(9-13)20-7-4-8-27(20,24)25/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,22,23).
What are the key properties of 5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 392.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119222188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).