3-[1-[2-(2-ethoxyphenyl)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide

C24H26N4O5S — CID 172679142

IUPAC3-[1-[2-(2-ethoxyphenyl)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide
SMILESCCOc1ccccc1CCn1c(=O)n(CC(C)C(N)=O)c(=O)c2c(-c3ncco3)c(C)sc21
InChIInChI=1S/C24H26N4O5S/c1-4-32-17-8-6-5-7-16(17)9-11-27-23-19(18(15(3)34-23)21-26-10-12-33-21)22(30)28(24(27)31)13-14(2)20(25)29/h5-8,10,12,14H,4,9,11,13H2,1-3H3,(H2,25,29)
InChIKeyADRJZEGWAYVOMK-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.95
Rot. Bonds9

About 3-[1-[2-(2-ethoxyphenyl)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide

3-[1-[2-(2-ethoxyphenyl)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide (PubChem CID 172679142) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 3-[1-[2-(2-ethoxyphenyl)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[1-[2-(2-ethoxyphenyl)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide
PubChem CID172679142
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name3-[1-[2-(2-ethoxyphenyl)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide
SMILESCCOc1ccccc1CCn1c(=O)n(CC(C)C(N)=O)c(=O)c2c(-c3ncco3)c(C)sc21
InChIInChI=1S/C24H26N4O5S/c1-4-32-17-8-6-5-7-16(17)9-11-27-23-19(18(15(3)34-23)21-26-10-12-33-21)22(30)28(24(27)31)13-14(2)20(25)29/h5-8,10,12,14H,4,9,11,13H2,1-3H3,(H2,25,29)
InChIKeyADRJZEGWAYVOMK-UHFFFAOYSA-N
XLogP2.95
TPSA122.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[1-[2-(2-ethoxyphenyl)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide with MolForge

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Related Compounds

3-[1-[(2R)-2-(2-ethylphenyl)-2-(2-hydroxyethoxy)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid
CID 172710722
2-[1-[2-(2-ethoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide;2-[1-[2-(2-ethoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid
CID 160597502
2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-propylacetamide
CID 145304401
ethane-1,2-diol;2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methyl-N-propylacetamide
CID 145304187
3-(1-hydroxy-2-methylpropan-2-yl)-1-[2-(2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 134570065
2-[1-[2-(2-ethoxyphenyl)ethyl]-4-hydroxy-5-methyl-6-(1,3-oxazol-2-yl)-2-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid
CID 137417177
2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-1-yl]acetic acid
CID 172762942
ethyl 2-[6-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 10815506
N-ethyl-2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide;methoxymethane
CID 145304415
ethyl 3-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxylate
CID 145320051
1,5-dimethyl-3-(2-methylpropyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 24757308
ethyl 3-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxylate;propan-2-ol
CID 145319597

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-ethoxyphenyl)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide?
The IUPAC name of 3-[1-[2-(2-ethoxyphenyl)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide (CID 172679142) is 3-[1-[2-(2-ethoxyphenyl)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for 3-[1-[2-(2-ethoxyphenyl)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide?
The canonical SMILES for 3-[1-[2-(2-ethoxyphenyl)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide is CCOc1ccccc1CCn1c(=O)n(CC(C)C(N)=O)c(=O)c2c(-c3ncco3)c(C)sc21.
What is the InChIKey of 3-[1-[2-(2-ethoxyphenyl)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide?
The InChIKey is ADRJZEGWAYVOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-4-32-17-8-6-5-7-16(17)9-11-27-23-19(18(15(3)34-23)21-26-10-12-33-21)22(30)28(24(27)31)13-14(2)20(25)29/h5-8,10,12,14H,4,9,11,13H2,1-3H3,(H2,25,29).
What are the key properties of 3-[1-[2-(2-ethoxyphenyl)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide?
3-[1-[2-(2-ethoxyphenyl)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide has a molecular weight of 482.56 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-ethoxyphenyl)ethyl]-6-methyl-5-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 172679142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).