N-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C16H24N4O2S — CID 2442329

IUPACN-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(=O)NC2CCCCC2)nc(C)c1C
InChIInChI=1S/C16H24N4O2S/c1-10-11(2)17-16(18-12(10)3)23-9-14(21)20-15(22)19-13-7-5-4-6-8-13/h13H,4-9H2,1-3H3,(H2,19,20,21,22)
InChIKeyVKGSSOFJMFCDOT-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.65
Rot. Bonds4

About N-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2442329) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2442329
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(=O)NC2CCCCC2)nc(C)c1C
InChIInChI=1S/C16H24N4O2S/c1-10-11(2)17-16(18-12(10)3)23-9-14(21)20-15(22)19-13-7-5-4-6-8-13/h13H,4-9H2,1-3H3,(H2,19,20,21,22)
InChIKeyVKGSSOFJMFCDOT-UHFFFAOYSA-N
XLogP2.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2078211
N-(propan-2-ylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2449001
N-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2472630
N-(2-methylcyclohexyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 5151351
N-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2083120
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 24982447
2-(4,6-dimethylpyrimidin-2-ylthio)-N-cyclohexylacetamide
CID 712737
N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8354801
N-(2,2,2-trifluoroethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8735031
N-cyclohexyl-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]acetamide
CID 125558570
N-cyclohexyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2083398
N-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2125123

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 2442329) is N-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is Cc1nc(SCC(=O)NC(=O)NC2CCCCC2)nc(C)c1C.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is VKGSSOFJMFCDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-10-11(2)17-16(18-12(10)3)23-9-14(21)20-15(22)19-13-7-5-4-6-8-13/h13H,4-9H2,1-3H3,(H2,19,20,21,22).
What are the key properties of N-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 336.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2442329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).