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

C20H22FN3O3S — CID 15992319

IUPACN-butyl-N-ethyl-2-[3-(4-fluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESCCCCN(CC)C(=O)Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2sccc21
InChIInChI=1S/C20H22FN3O3S/c1-3-5-11-22(4-2)17(25)13-23-16-10-12-28-18(16)19(26)24(20(23)27)15-8-6-14(21)7-9-15/h6-10,12H,3-5,11,13H2,1-2H3
InChIKeyVUYDXTDCSWTYGW-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.00
Rot. Bonds7

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

N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 15992319) has the molecular formula C20H22FN3O3S and a molecular weight of 403.48 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-[3-(4-fluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID15992319
Molecular FormulaC20H22FN3O3S
Molecular Weight403.48 g/mol
Exact Mass403.14
IUPAC NameN-butyl-N-ethyl-2-[3-(4-fluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESCCCCN(CC)C(=O)Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2sccc21
InChIInChI=1S/C20H22FN3O3S/c1-3-5-11-22(4-2)17(25)13-23-16-10-12-28-18(16)19(26)24(20(23)27)15-8-6-14(21)7-9-15/h6-10,12H,3-5,11,13H2,1-2H3
InChIKeyVUYDXTDCSWTYGW-UHFFFAOYSA-N
XLogP3.00
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide (CID 15992319) is N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide is CCCCN(CC)C(=O)Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2sccc21.
What is the InChIKey of N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is VUYDXTDCSWTYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S/c1-3-5-11-22(4-2)17(25)13-23-16-10-12-28-18(16)19(26)24(20(23)27)15-8-6-14(21)7-9-15/h6-10,12H,3-5,11,13H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-[3-(4-fluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 15992319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).