N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide

C20H23N3O6S — CID 6486287

IUPACN-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESCOCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(OC)cc2OC)c1=O
InChIInChI=1S/C20H23N3O6S/c1-27-9-4-8-22-19(25)18-15(7-10-30-18)23(20(22)26)12-17(24)21-14-6-5-13(28-2)11-16(14)29-3/h5-7,10-11H,4,8-9,12H2,1-3H3,(H,21,24)
InChIKeyLEPOYGPUKMSWEE-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.92
Rot. Bonds9

About N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide

N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 6486287) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID6486287
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESCOCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(OC)cc2OC)c1=O
InChIInChI=1S/C20H23N3O6S/c1-27-9-4-8-22-19(25)18-15(7-10-30-18)23(20(22)26)12-17(24)21-14-6-5-13(28-2)11-16(14)29-3/h5-7,10-11H,4,8-9,12H2,1-3H3,(H,21,24)
InChIKeyLEPOYGPUKMSWEE-UHFFFAOYSA-N
XLogP1.92
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide 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

N-(2,5-difluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486318
N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46922674
2-(8-butyl-7,12-dioxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-trien-11-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 53199392
methyl 4-[[2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetyl]amino]benzoate
CID 6486340
N-(3-chlorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486302
N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46922668
N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 39353861
2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46922960
N-(2,4-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 46921804
N-(2,4-dimethoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502390
2-[3-(3-methoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 6486363
N-(3,4-dimethoxyphenyl)-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6486215

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide (CID 6486287) is N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide is COCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(OC)cc2OC)c1=O.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is LEPOYGPUKMSWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-27-9-4-8-22-19(25)18-15(7-10-30-18)23(20(22)26)12-17(24)21-14-6-5-13(28-2)11-16(14)29-3/h5-7,10-11H,4,8-9,12H2,1-3H3,(H,21,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 433.49 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 6486287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).