2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide

C14H20N4O4S — CID 646716

IUPAC2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide
SMILESCC(=O)NC1C(=O)N=C(SCC(=O)NC2CCCCC2)NC1=O
InChIInChI=1S/C14H20N4O4S/c1-8(19)15-11-12(21)17-14(18-13(11)22)23-7-10(20)16-9-5-3-2-4-6-9/h9,11H,2-7H2,1H3,(H,15,19)(H,16,20)(H,17,18,21,22)
InChIKeyHAWIWYBUJPCUIE-UHFFFAOYSA-N
MW340.41 g/mol
LogP-0.31
Rot. Bonds4

About 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide

2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide (PubChem CID 646716) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide
PubChem CID646716
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Name2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide
SMILESCC(=O)NC1C(=O)N=C(SCC(=O)NC2CCCCC2)NC1=O
InChIInChI=1S/C14H20N4O4S/c1-8(19)15-11-12(21)17-14(18-13(11)22)23-7-10(20)16-9-5-3-2-4-6-9/h9,11H,2-7H2,1H3,(H,15,19)(H,16,20)(H,17,18,21,22)
InChIKeyHAWIWYBUJPCUIE-UHFFFAOYSA-N
XLogP-0.31
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide (CID 646716) is 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide is CC(=O)NC1C(=O)N=C(SCC(=O)NC2CCCCC2)NC1=O.
What is the InChIKey of 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide?
The InChIKey is HAWIWYBUJPCUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-8(19)15-11-12(21)17-14(18-13(11)22)23-7-10(20)16-9-5-3-2-4-6-9/h9,11H,2-7H2,1H3,(H,15,19)(H,16,20)(H,17,18,21,22).
What are the key properties of 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide?
2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide has a molecular weight of 340.41 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide is sourced from PubChem (CID 646716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).