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

C15H19N3O3S — CID 6486186

IUPACN-cyclopentyl-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
SMILESCCn1c(=O)c2sccc2n(CC(=O)NC2CCCC2)c1=O
InChIInChI=1S/C15H19N3O3S/c1-2-17-14(20)13-11(7-8-22-13)18(15(17)21)9-12(19)16-10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,16,19)
InChIKeyCESRPBGLKHDHAL-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.30
Rot. Bonds4

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

N-cyclopentyl-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide (PubChem CID 6486186) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
PubChem CID6486186
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-cyclopentyl-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
SMILESCCn1c(=O)c2sccc2n(CC(=O)NC2CCCC2)c1=O
InChIInChI=1S/C15H19N3O3S/c1-2-17-14(20)13-11(7-8-22-13)18(15(17)21)9-12(19)16-10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,16,19)
InChIKeyCESRPBGLKHDHAL-UHFFFAOYSA-N
XLogP1.30
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide (CID 6486186) is N-cyclopentyl-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide is CCn1c(=O)c2sccc2n(CC(=O)NC2CCCC2)c1=O.
What is the InChIKey of N-cyclopentyl-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide?
The InChIKey is CESRPBGLKHDHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-2-17-14(20)13-11(7-8-22-13)18(15(17)21)9-12(19)16-10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,16,19).
What are the key properties of N-cyclopentyl-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide?
N-cyclopentyl-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide is sourced from PubChem (CID 6486186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).