ethyl 5-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylate

C24H23N3O7S — CID 59034512

IUPACethyl 5-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(Cn2c(=O)c3cc(C(=O)NCc4cccc(OC)c4)sc3n(C)c2=O)o1
InChIInChI=1S/C24H23N3O7S/c1-4-33-23(30)18-9-8-16(34-18)13-27-21(29)17-11-19(35-22(17)26(2)24(27)31)20(28)25-12-14-6-5-7-15(10-14)32-3/h5-11H,4,12-13H2,1-3H3,(H,25,28)
InChIKeyKISGPRZUPUZHPF-UHFFFAOYSA-N
MW497.53 g/mol
LogP2.52
Rot. Bonds8

About ethyl 5-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylate

ethyl 5-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylate (PubChem CID 59034512) has the molecular formula C24H23N3O7S and a molecular weight of 497.53 g/mol. Its IUPAC name is ethyl 5-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylate
PubChem CID59034512
Molecular FormulaC24H23N3O7S
Molecular Weight497.53 g/mol
Exact Mass497.13
IUPAC Nameethyl 5-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(Cn2c(=O)c3cc(C(=O)NCc4cccc(OC)c4)sc3n(C)c2=O)o1
InChIInChI=1S/C24H23N3O7S/c1-4-33-23(30)18-9-8-16(34-18)13-27-21(29)17-11-19(35-22(17)26(2)24(27)31)20(28)25-12-14-6-5-7-15(10-14)32-3/h5-11H,4,12-13H2,1-3H3,(H,25,28)
InChIKeyKISGPRZUPUZHPF-UHFFFAOYSA-N
XLogP2.52
TPSA121.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 5-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylate (CID 59034512) is ethyl 5-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(Cn2c(=O)c3cc(C(=O)NCc4cccc(OC)c4)sc3n(C)c2=O)o1.
What is the InChIKey of ethyl 5-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylate?
The InChIKey is KISGPRZUPUZHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O7S/c1-4-33-23(30)18-9-8-16(34-18)13-27-21(29)17-11-19(35-22(17)26(2)24(27)31)20(28)25-12-14-6-5-7-15(10-14)32-3/h5-11H,4,12-13H2,1-3H3,(H,25,28).
What are the key properties of ethyl 5-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylate?
ethyl 5-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylate has a molecular weight of 497.53 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 59034512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).