4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide

C18H18N4O5S2 — CID 118089518

IUPAC4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC=C(c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)CC1
InChIInChI=1S/C18H18N4O5S2/c1-21(2)29(25,26)22-5-3-11(4-6-22)14-10-19-9-12-7-13(27-16(12)14)8-15-17(23)20-18(24)28-15/h3,7-10H,4-6H2,1-2H3,(H,20,23,24)/b15-8+
InChIKeyOOBQBCLLQNBQPA-OVCLIPMQSA-N
MW434.50 g/mol
LogP2.05
Rot. Bonds4

About 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide

4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide (PubChem CID 118089518) has the molecular formula C18H18N4O5S2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide
PubChem CID118089518
Molecular FormulaC18H18N4O5S2
Molecular Weight434.50 g/mol
Exact Mass434.07
IUPAC Name4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC=C(c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)CC1
InChIInChI=1S/C18H18N4O5S2/c1-21(2)29(25,26)22-5-3-11(4-6-22)14-10-19-9-12-7-13(27-16(12)14)8-15-17(23)20-18(24)28-15/h3,7-10H,4-6H2,1-2H3,(H,20,23,24)/b15-8+
InChIKeyOOBQBCLLQNBQPA-OVCLIPMQSA-N
XLogP2.05
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
The IUPAC name of 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide (CID 118089518) is 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide.
What is the SMILES notation for 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
The canonical SMILES for 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide is CN(C)S(=O)(=O)N1CC=C(c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)CC1.
What is the InChIKey of 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
The InChIKey is OOBQBCLLQNBQPA-OVCLIPMQSA-N. The full InChI is InChI=1S/C18H18N4O5S2/c1-21(2)29(25,26)22-5-3-11(4-6-22)14-10-19-9-12-7-13(27-16(12)14)8-15-17(23)20-18(24)28-15/h3,7-10H,4-6H2,1-2H3,(H,20,23,24)/b15-8+.
What are the key properties of 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide has a molecular weight of 434.50 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide is sourced from PubChem (CID 118089518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).