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

C25H25N3O4S — CID 46922670

IUPACN-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cn1c(=O)n(Cc2ccc(OC)cc2)c(=O)c2sccc21)c1cccc(C)c1
InChIInChI=1S/C25H25N3O4S/c1-4-26(19-7-5-6-17(2)14-19)22(29)16-27-21-12-13-33-23(21)24(30)28(25(27)31)15-18-8-10-20(32-3)11-9-18/h5-14H,4,15-16H2,1-3H3
InChIKeyGQXHRTNTBKQRKX-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.64
Rot. Bonds7

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

N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 46922670) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID46922670
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cn1c(=O)n(Cc2ccc(OC)cc2)c(=O)c2sccc21)c1cccc(C)c1
InChIInChI=1S/C25H25N3O4S/c1-4-26(19-7-5-6-17(2)14-19)22(29)16-27-21-12-13-33-23(21)24(30)28(25(27)31)15-18-8-10-20(32-3)11-9-18/h5-14H,4,15-16H2,1-3H3
InChIKeyGQXHRTNTBKQRKX-UHFFFAOYSA-N
XLogP3.64
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide (CID 46922670) is N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide is CCN(C(=O)Cn1c(=O)n(Cc2ccc(OC)cc2)c(=O)c2sccc21)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is GQXHRTNTBKQRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-4-26(19-7-5-6-17(2)14-19)22(29)16-27-21-12-13-33-23(21)24(30)28(25(27)31)15-18-8-10-20(32-3)11-9-18/h5-14H,4,15-16H2,1-3H3.
What are the key properties of N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 463.56 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 46922670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).