N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]thieno[2,3-d]pyrimidine-6-carboxamide;methyl 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]-2-methylbenzoate

C101H93F3N12O22S5 — CID 173212362

About N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]thieno[2,3-d]pyrimidine-6-carboxamide;methyl 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]-2-methylbenzoate

N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]thieno[2,3-d]pyrimidine-6-carboxamide;methyl 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]-2-methylbenzoate (PubChem CID 173212362) has the molecular formula C101H93F3N12O22S5 and a molecular weight of 2044.25 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]thieno[2,3-d]pyrimidine-6-carboxamide;methyl 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]-2-methylbenzoate.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]thieno[2,3-d]pyrimidine-6-carboxamide;methyl 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]-2-methylbenzoate
• PubChem CID: 173212362
• Molecular Formula: C101H93F3N12O22S5
• Molecular Weight: 2044.25 g/mol
• Exact Mass: 2042.51
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]thieno[2,3-d]pyrimidine-6-carboxamide;methyl 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]-2-methylbenzoate
• SMILES: COC(=O)c1ccc(Cn2c(=O)c3cc(C(=O)NCc4cccc(OC)c4)sc3n(C)c2=O)cc1C.COc1ccc(CNC(=O)c2cc3c(=O)n(CCC(=O)c4ccccc4)c(=O)n(C)c3s2)cc1.COc1cccc(CNC(=O)c2cc3c(=O)n(CCC(=O)c4ccccc4)c(=O)n(C)c3s2)c1.COc1cccc(CNC(=O)c2cc3c(=O)n(CCS(=O)(=O)c4cccc(C(F)(F)F)c4)c(=O)n(C)c3s2)c1
• InChI: InChI=1S/C26H25N3O6S.C25H22F3N3O6S2.2C25H23N3O5S/c1-15-10-17(8-9-19(15)25(32)35-4)14-29-23(31)20-12-21(36-24(20)28(2)26(29)33)22(30)27-13-16-6-5-7-18(11-16)34-3;1-30-23-19(13-20(38-23)21(32)29-14-15-5-3-7-17(11-15)37-2)22(33)31(24(30)34)9-10-39(35,36)18-8-4-6-16(12-18)25(26,27)28;1-27-24-19(14-21(34-24)22(30)26-15-16-7-6-10-18(13-16)33-2)23(31)28(25(27)32)12-11-20(29)17-8-4-3-5-9-17;1-27-24-19(14-21(34-24)22(30)26-15-16-8-10-18(33-2)11-9-16)23(31)28(25(27)32)13-12-20(29)17-6-4-3-5-7-17/h5-12H,13-14H2,1-4H3,(H,27,30);3-8,11-13H,9-10,14H2,1-2H3,(H,29,32);3-10,13-14H,11-12,15H2,1-2H3,(H,26,30);3-11,14H,12-13,15H2,1-2H3,(H,26,30)
• InChIKey: UZNDKNLMLGBHBV-UHFFFAOYSA-N
• XLogP: 11.98
• TPSA: 423.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 31
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2044.25
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]thieno[2,3-d]pyrimidine-6-carboxamide;methyl 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]-2-methylbenzoate?

The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]thieno[2,3-d]pyrimidine-6-carboxamide;methyl 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]-2-methylbenzoate (CID 173212362) is N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]thieno[2,3-d]pyrimidine-6-carboxamide;methyl 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]-2-methylbenzoate.

What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]thieno[2,3-d]pyrimidine-6-carboxamide;methyl 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]-2-methylbenzoate?

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]thieno[2,3-d]pyrimidine-6-carboxamide;methyl 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]-2-methylbenzoate is COC(=O)c1ccc(Cn2c(=O)c3cc(C(=O)NCc4cccc(OC)c4)sc3n(C)c2=O)cc1C.COc1ccc(CNC(=O)c2cc3c(=O)n(CCC(=O)c4ccccc4)c(=O)n(C)c3s2)cc1.COc1cccc(CNC(=O)c2cc3c(=O)n(CCC(=O)c4ccccc4)c(=O)n(C)c3s2)c1.COc1cccc(CNC(=O)c2cc3c(=O)n(CCS(=O)(=O)c4cccc(C(F)(F)F)c4)c(=O)n(C)c3s2)c1.

What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]thieno[2,3-d]pyrimidine-6-carboxamide;methyl 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]-2-methylbenzoate?

The InChIKey is UZNDKNLMLGBHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O6S.C25H22F3N3O6S2.2C25H23N3O5S/c1-15-10-17(8-9-19(15)25(32)35-4)14-29-23(31)20-12-21(36-24(20)28(2)26(29)33)22(30)27-13-16-6-5-7-18(11-16)34-3;1-30-23-19(13-20(38-23)21(32)29-14-15-5-3-7-17(11-15)37-2)22(33)31(24(30)34)9-10-39(35,36)18-8-4-6-16(12-18)25(26,27)28;1-27-24-19(14-21(34-24)22(30)26-15-16-7-6-10-18(13-16)33-2)23(31)28(25(27)32)12-11-20(29)17-8-4-3-5-9-17;1-27-24-19(14-21(34-24)22(30)26-15-16-8-10-18(33-2)11-9-16)23(31)28(25(27)32)13-12-20(29)17-6-4-3-5-7-17/h5-12H,13-14H2,1-4H3,(H,27,30);3-8,11-13H,9-10,14H2,1-2H3,(H,29,32);3-10,13-14H,11-12,15H2,1-2H3,(H,26,30);3-11,14H,12-13,15H2,1-2H3,(H,26,30).

What are the key properties of N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]thieno[2,3-d]pyrimidine-6-carboxamide;methyl 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]-2-methylbenzoate?

N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]thieno[2,3-d]pyrimidine-6-carboxamide;methyl 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]-2-methylbenzoate has a molecular weight of 2044.25 g/mol, XLogP of 11.98, 31 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-oxo-3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide;N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]thieno[2,3-d]pyrimidine-6-carboxamide;methyl 4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]-2-methylbenzoate is sourced from PubChem (CID 173212362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).