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

C21H25N3O4S — CID 6486324

IUPACN-ethyl-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cn1c(=O)n(CCCOC)c(=O)c2sccc21)c1cccc(C)c1
InChIInChI=1S/C21H25N3O4S/c1-4-22(16-8-5-7-15(2)13-16)18(25)14-24-17-9-12-29-19(17)20(26)23(21(24)27)10-6-11-28-3/h5,7-9,12-13H,4,6,10-11,14H2,1-3H3
InChIKeySEAYJWPJUWEPRK-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.62
Rot. Bonds8

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

N-ethyl-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 6486324) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-ethyl-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID6486324
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-ethyl-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cn1c(=O)n(CCCOC)c(=O)c2sccc21)c1cccc(C)c1
InChIInChI=1S/C21H25N3O4S/c1-4-22(16-8-5-7-15(2)13-16)18(25)14-24-17-9-12-29-19(17)20(26)23(21(24)27)10-6-11-28-3/h5,7-9,12-13H,4,6,10-11,14H2,1-3H3
InChIKeySEAYJWPJUWEPRK-UHFFFAOYSA-N
XLogP2.62
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
CID 46922670
N-(3-chlorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486302
2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide
CID 46923905
N-ethyl-N-(4-ethylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 51046823
1-benzyl-3-(3-methoxypropyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 6486358
methyl 4-[[2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetyl]amino]benzoate
CID 6486340
N-(2,5-difluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486318
N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486287
2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113160180
1-[(4-chlorophenyl)methyl]-3-(3-methoxypropyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 6486350
2-[3-(3-methylbutyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
CID 46922766
1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea
CID 108988156

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of N-ethyl-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide (CID 6486324) is N-ethyl-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-ethyl-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-ethyl-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide is CCN(C(=O)Cn1c(=O)n(CCCOC)c(=O)c2sccc21)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is SEAYJWPJUWEPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-4-22(16-8-5-7-15(2)13-16)18(25)14-24-17-9-12-29-19(17)20(26)23(21(24)27)10-6-11-28-3/h5,7-9,12-13H,4,6,10-11,14H2,1-3H3.
What are the key properties of N-ethyl-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
N-ethyl-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 415.52 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 6486324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).