6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)hexanamide

C17H19N3O3S2 — CID 3240829

IUPAC6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)hexanamide
SMILESO=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1cccs1
InChIInChI=1S/C17H19N3O3S2/c21-14(18-11-12-5-4-9-24-12)6-2-1-3-8-20-16(22)15-13(7-10-25-15)19-17(20)23/h4-5,7,9-10H,1-3,6,8,11H2,(H,18,21)(H,19,23)
InChIKeyRYEGETZZYZLZCL-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.69
Rot. Bonds8

About 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)hexanamide

6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)hexanamide (PubChem CID 3240829) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)hexanamide
PubChem CID3240829
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)hexanamide
SMILESO=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1cccs1
InChIInChI=1S/C17H19N3O3S2/c21-14(18-11-12-5-4-9-24-12)6-2-1-3-8-20-16(22)15-13(7-10-25-15)19-17(20)23/h4-5,7,9-10H,1-3,6,8,11H2,(H,18,21)(H,19,23)
InChIKeyRYEGETZZYZLZCL-UHFFFAOYSA-N
XLogP2.69
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)hexanamide?
The IUPAC name of 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)hexanamide (CID 3240829) is 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)hexanamide.
What is the SMILES notation for 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)hexanamide?
The canonical SMILES for 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)hexanamide is O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1cccs1.
What is the InChIKey of 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)hexanamide?
The InChIKey is RYEGETZZYZLZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c21-14(18-11-12-5-4-9-24-12)6-2-1-3-8-20-16(22)15-13(7-10-25-15)19-17(20)23/h4-5,7,9-10H,1-3,6,8,11H2,(H,18,21)(H,19,23).
What are the key properties of 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)hexanamide?
6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)hexanamide has a molecular weight of 377.49 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)hexanamide is sourced from PubChem (CID 3240829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).