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

C20H23N3O3S — CID 46923188

IUPAC2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCCCCn1c(=O)c2sccc2n(CC(=O)NCc2ccc(C)cc2)c1=O
InChIInChI=1S/C20H23N3O3S/c1-3-4-10-22-19(25)18-16(9-11-27-18)23(20(22)26)13-17(24)21-12-15-7-5-14(2)6-8-15/h5-9,11H,3-4,10,12-13H2,1-2H3,(H,21,24)
InChIKeyKXWXTLXLUZCSEI-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.65
Rot. Bonds7

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

2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 46923188) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID46923188
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCCCCn1c(=O)c2sccc2n(CC(=O)NCc2ccc(C)cc2)c1=O
InChIInChI=1S/C20H23N3O3S/c1-3-4-10-22-19(25)18-16(9-11-27-18)23(20(22)26)13-17(24)21-12-15-7-5-14(2)6-8-15/h5-9,11H,3-4,10,12-13H2,1-2H3,(H,21,24)
InChIKeyKXWXTLXLUZCSEI-UHFFFAOYSA-N
XLogP2.65
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 46923188) is 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide is CCCCn1c(=O)c2sccc2n(CC(=O)NCc2ccc(C)cc2)c1=O.
What is the InChIKey of 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is KXWXTLXLUZCSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-3-4-10-22-19(25)18-16(9-11-27-18)23(20(22)26)13-17(24)21-12-15-7-5-14(2)6-8-15/h5-9,11H,3-4,10,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 385.49 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 46923188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).