N-(3-methoxyphenyl)-2-[3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide

C25H24N4O5S — CID 15989128

IUPACN-(3-methoxyphenyl)-2-[3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2c(=O)n(CC(=O)NCc3ccc(C)cc3)c(=O)c3sccc32)c1
InChIInChI=1S/C25H24N4O5S/c1-16-6-8-17(9-7-16)13-26-21(30)14-29-24(32)23-20(10-11-35-23)28(25(29)33)15-22(31)27-18-4-3-5-19(12-18)34-2/h3-12H,13-15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyBWIDMVHCGAWQIC-UHFFFAOYSA-N
MW492.56 g/mol
LogP2.50
Rot. Bonds8

About N-(3-methoxyphenyl)-2-[3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide

N-(3-methoxyphenyl)-2-[3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 15989128) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID15989128
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC NameN-(3-methoxyphenyl)-2-[3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2c(=O)n(CC(=O)NCc3ccc(C)cc3)c(=O)c3sccc32)c1
InChIInChI=1S/C25H24N4O5S/c1-16-6-8-17(9-7-16)13-26-21(30)14-29-24(32)23-20(10-11-35-23)28(25(29)33)15-22(31)27-18-4-3-5-19(12-18)34-2/h3-12H,13-15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyBWIDMVHCGAWQIC-UHFFFAOYSA-N
XLogP2.50
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide (CID 15989128) is N-(3-methoxyphenyl)-2-[3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide is COc1cccc(NC(=O)Cn2c(=O)n(CC(=O)NCc3ccc(C)cc3)c(=O)c3sccc32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is BWIDMVHCGAWQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c1-16-6-8-17(9-7-16)13-26-21(30)14-29-24(32)23-20(10-11-35-23)28(25(29)33)15-22(31)27-18-4-3-5-19(12-18)34-2/h3-12H,13-15H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-(3-methoxyphenyl)-2-[3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
N-(3-methoxyphenyl)-2-[3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 492.56 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 15989128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).