N-(2,3-dimethylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide

C15H20F3N3O2S — CID 136797602

IUPACN-(2,3-dimethylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESCC1CCCC(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)C1C
InChIInChI=1S/C15H20F3N3O2S/c1-8-4-3-5-10(9(8)2)19-13(23)7-24-14-20-11(15(16,17)18)6-12(22)21-14/h6,8-10H,3-5,7H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyIBWSCVRKEOGZCZ-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.82
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide

N-(2,3-dimethylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 136797602) has the molecular formula C15H20F3N3O2S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID136797602
Molecular FormulaC15H20F3N3O2S
Molecular Weight363.41 g/mol
Exact Mass363.12
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESCC1CCCC(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)C1C
InChIInChI=1S/C15H20F3N3O2S/c1-8-4-3-5-10(9(8)2)19-13(23)7-24-14-20-11(15(16,17)18)6-12(22)21-14/h6,8-10H,3-5,7H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyIBWSCVRKEOGZCZ-UHFFFAOYSA-N
XLogP2.82
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide (CID 136797602) is N-(2,3-dimethylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide is CC1CCCC(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is IBWSCVRKEOGZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2S/c1-8-4-3-5-10(9(8)2)19-13(23)7-24-14-20-11(15(16,17)18)6-12(22)21-14/h6,8-10H,3-5,7H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide?
N-(2,3-dimethylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 363.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 136797602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).