N-(4-methoxyphenyl)-4-[1-[(3-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide

C25H25N3O4S — CID 12004757

IUPACN-(4-methoxyphenyl)-4-[1-[(3-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide
SMILESCOc1ccc(NC(=O)CCCn2c(=O)c3sccc3n(Cc3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C25H25N3O4S/c1-17-5-3-6-18(15-17)16-28-21-12-14-33-23(21)24(30)27(25(28)31)13-4-7-22(29)26-19-8-10-20(32-2)11-9-19/h3,5-6,8-12,14-15H,4,7,13,16H2,1-2H3,(H,26,29)
InChIKeyBKWSBPGIPKQHED-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.01
Rot. Bonds8

About N-(4-methoxyphenyl)-4-[1-[(3-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide

N-(4-methoxyphenyl)-4-[1-[(3-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide (PubChem CID 12004757) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[1-[(3-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[1-[(3-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide
PubChem CID12004757
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-(4-methoxyphenyl)-4-[1-[(3-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide
SMILESCOc1ccc(NC(=O)CCCn2c(=O)c3sccc3n(Cc3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C25H25N3O4S/c1-17-5-3-6-18(15-17)16-28-21-12-14-33-23(21)24(30)27(25(28)31)13-4-7-22(29)26-19-8-10-20(32-2)11-9-19/h3,5-6,8-12,14-15H,4,7,13,16H2,1-2H3,(H,26,29)
InChIKeyBKWSBPGIPKQHED-UHFFFAOYSA-N
XLogP4.01
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-4-[1-[(4-nitrophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide
CID 46506355
ethyl 4-[[2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetyl]amino]benzoate
CID 46922954
N-(3-chlorophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46922684
N-(3,4-dichlorophenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46923035
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46858959
N-(3-chloro-4-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46922977
N-(3,5-dimethoxyphenyl)-2-[3-[(3-ethoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46923552
N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 22427951
N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 15995768
N-(3-cyanophenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46923024
N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
CID 46922670
N-benzyl-6-[1-[(3-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]hexanamide
CID 22428299

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[1-[(3-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[1-[(3-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide (CID 12004757) is N-(4-methoxyphenyl)-4-[1-[(3-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[1-[(3-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[1-[(3-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide is COc1ccc(NC(=O)CCCn2c(=O)c3sccc3n(Cc3cccc(C)c3)c2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[1-[(3-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide?
The InChIKey is BKWSBPGIPKQHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-17-5-3-6-18(15-17)16-28-21-12-14-33-23(21)24(30)27(25(28)31)13-4-7-22(29)26-19-8-10-20(32-2)11-9-19/h3,5-6,8-12,14-15H,4,7,13,16H2,1-2H3,(H,26,29).
What are the key properties of N-(4-methoxyphenyl)-4-[1-[(3-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide?
N-(4-methoxyphenyl)-4-[1-[(3-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide has a molecular weight of 463.56 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[1-[(3-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide is sourced from PubChem (CID 12004757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).