N-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide

C13H18N4O2S — CID 2634383

IUPACN-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H18N4O2S/c18-11(9-20-13-14-7-4-8-15-13)17-12(19)16-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H2,16,17,18,19)
InChIKeySBRMXYKHGNIAEQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.73
Rot. Bonds4

About N-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide

N-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2634383) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2634383
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H18N4O2S/c18-11(9-20-13-14-7-4-8-15-13)17-12(19)16-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H2,16,17,18,19)
InChIKeySBRMXYKHGNIAEQ-UHFFFAOYSA-N
XLogP1.73
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide 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 N-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide (CID 2634383) is N-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NC(=O)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is SBRMXYKHGNIAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c18-11(9-20-13-14-7-4-8-15-13)17-12(19)16-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H2,16,17,18,19).
What are the key properties of N-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 294.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2634383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).