4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-ethylphenyl)butanamide

C18H19N3O3S — CID 6621317

IUPAC4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-ethylphenyl)butanamide
SMILESCCc1cccc(NC(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)c1
InChIInChI=1S/C18H19N3O3S/c1-2-12-5-3-6-13(11-12)19-15(22)7-4-9-21-17(23)16-14(8-10-25-16)20-18(21)24/h3,5-6,8,10-11H,2,4,7,9H2,1H3,(H,19,22)(H,20,24)
InChIKeyQCBOSACUNPVQPG-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.73
Rot. Bonds6

About 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-ethylphenyl)butanamide

4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-ethylphenyl)butanamide (PubChem CID 6621317) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-ethylphenyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-ethylphenyl)butanamide
PubChem CID6621317
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-ethylphenyl)butanamide
SMILESCCc1cccc(NC(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)c1
InChIInChI=1S/C18H19N3O3S/c1-2-12-5-3-6-13(11-12)19-15(22)7-4-9-21-17(23)16-14(8-10-25-16)20-18(21)24/h3,5-6,8,10-11H,2,4,7,9H2,1H3,(H,19,22)(H,20,24)
InChIKeyQCBOSACUNPVQPG-UHFFFAOYSA-N
XLogP2.73
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-ethylphenyl)butanamide?
The IUPAC name of 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-ethylphenyl)butanamide (CID 6621317) is 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-ethylphenyl)butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-ethylphenyl)butanamide?
The canonical SMILES for 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-ethylphenyl)butanamide is CCc1cccc(NC(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)c1.
What is the InChIKey of 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-ethylphenyl)butanamide?
The InChIKey is QCBOSACUNPVQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-2-12-5-3-6-13(11-12)19-15(22)7-4-9-21-17(23)16-14(8-10-25-16)20-18(21)24/h3,5-6,8,10-11H,2,4,7,9H2,1H3,(H,19,22)(H,20,24).
What are the key properties of 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-ethylphenyl)butanamide?
4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-ethylphenyl)butanamide has a molecular weight of 357.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-ethylphenyl)butanamide is sourced from PubChem (CID 6621317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).