5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide

C19H22N4O7S2 — CID 55691925

IUPAC5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)o1
InChIInChI=1S/C19H22N4O7S2/c20-18(24)16-6-7-17(30-16)32(28,29)22-11-9-21(10-12-22)19(25)14-2-4-15(5-3-14)23-8-1-13-31(23,26)27/h2-7H,1,8-13H2,(H2,20,24)
InChIKeyOWVRMEFUKKMIAO-UHFFFAOYSA-N
MW482.54 g/mol
LogP0.07
Rot. Bonds5

About 5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide

5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide (PubChem CID 55691925) has the molecular formula C19H22N4O7S2 and a molecular weight of 482.54 g/mol. Its IUPAC name is 5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
PubChem CID55691925
Molecular FormulaC19H22N4O7S2
Molecular Weight482.54 g/mol
Exact Mass482.09
IUPAC Name5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)o1
InChIInChI=1S/C19H22N4O7S2/c20-18(24)16-6-7-17(30-16)32(28,29)22-11-9-21(10-12-22)19(25)14-2-4-15(5-3-14)23-8-1-13-31(23,26)27/h2-7H,1,8-13H2,(H2,20,24)
InChIKeyOWVRMEFUKKMIAO-UHFFFAOYSA-N
XLogP0.07
TPSA151.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide with MolForge

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Related Compounds

5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119733816
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone
CID 18105399
5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55691700
5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55837251
[4-(1,1-dioxothiazinan-2-yl)phenyl]-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 5307516
5-[4-(piperidine-2-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119295058
N-(3-chloro-4-methylphenyl)-4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazine-1-carboxamide
CID 55971238
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[4-[4-(hydroxymethyl)-2-methylphenyl]piperazin-1-yl]methanone
CID 71252023
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 18138990
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655289
5-[4-(piperidine-2-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide;hydrochloride
CID 119295057
5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid
CID 29077415

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The IUPAC name of 5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide (CID 55691925) is 5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The canonical SMILES for 5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide is NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)o1.
What is the InChIKey of 5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The InChIKey is OWVRMEFUKKMIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O7S2/c20-18(24)16-6-7-17(30-16)32(28,29)22-11-9-21(10-12-22)19(25)14-2-4-15(5-3-14)23-8-1-13-31(23,26)27/h2-7H,1,8-13H2,(H2,20,24).
What are the key properties of 5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide is sourced from PubChem (CID 55691925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).