4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide

C18H18N4O4S2 — CID 24539076

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide
SMILESCCc1cc2c(=O)n(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)cnc2s1
InChIInChI=1S/C18H18N4O4S2/c1-2-14-10-15-17(27-14)19-11-21(18(15)24)20-16(23)12-4-6-13(7-5-12)22-8-3-9-28(22,25)26/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,23)
InChIKeyHHYBNYANQDLVRQ-UHFFFAOYSA-N
MW418.50 g/mol
LogP1.94
Rot. Bonds4

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide (PubChem CID 24539076) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide
PubChem CID24539076
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide
SMILESCCc1cc2c(=O)n(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)cnc2s1
InChIInChI=1S/C18H18N4O4S2/c1-2-14-10-15-17(27-14)19-11-21(18(15)24)20-16(23)12-4-6-13(7-5-12)22-8-3-9-28(22,25)26/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,23)
InChIKeyHHYBNYANQDLVRQ-UHFFFAOYSA-N
XLogP1.94
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide
CID 8912423
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide
CID 17451363
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 18096126
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24539021
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24538983
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide
CID 18169101
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide
CID 8001763
tert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate
CID 24539064
N-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 55690257
4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7685602
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24538982

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide (CID 24539076) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide is CCc1cc2c(=O)n(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)cnc2s1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide?
The InChIKey is HHYBNYANQDLVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c1-2-14-10-15-17(27-14)19-11-21(18(15)24)20-16(23)12-4-6-13(7-5-12)22-8-3-9-28(22,25)26/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,23).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide has a molecular weight of 418.50 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 24539076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).