N-cyclohexyl-N-ethyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide

C15H20F3N3O2S — CID 136797539

IUPACN-cyclohexyl-N-ethyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nc(C(F)(F)F)cc(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C15H20F3N3O2S/c1-2-21(10-6-4-3-5-7-10)13(23)9-24-14-19-11(15(16,17)18)8-12(22)20-14/h8,10H,2-7,9H2,1H3,(H,19,20,22)
InChIKeyRTSQVDHRXSTRQD-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.06
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide

N-cyclohexyl-N-ethyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 136797539) has the molecular formula C15H20F3N3O2S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID136797539
Molecular FormulaC15H20F3N3O2S
Molecular Weight363.41 g/mol
Exact Mass363.12
IUPAC NameN-cyclohexyl-N-ethyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nc(C(F)(F)F)cc(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C15H20F3N3O2S/c1-2-21(10-6-4-3-5-7-10)13(23)9-24-14-19-11(15(16,17)18)8-12(22)20-14/h8,10H,2-7,9H2,1H3,(H,19,20,22)
InChIKeyRTSQVDHRXSTRQD-UHFFFAOYSA-N
XLogP3.06
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide (CID 136797539) is N-cyclohexyl-N-ethyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide is CCN(C(=O)CSc1nc(C(F)(F)F)cc(=O)[nH]1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is RTSQVDHRXSTRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2S/c1-2-21(10-6-4-3-5-7-10)13(23)9-24-14-19-11(15(16,17)18)8-12(22)20-14/h8,10H,2-7,9H2,1H3,(H,19,20,22).
What are the key properties of N-cyclohexyl-N-ethyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide?
N-cyclohexyl-N-ethyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 363.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 136797539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).