N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C19H20F3N3OS — CID 86207793

IUPACN-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESO=C(NC1CCCCC1)C(Sc1nccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C19H20F3N3OS/c20-19(21,22)15-11-12-23-18(25-15)27-16(13-7-3-1-4-8-13)17(26)24-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14,16H,2,5-6,9-10H2,(H,24,26)
InChIKeyVVYNOTLPOWYDAM-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.78
Rot. Bonds5

About N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 86207793) has the molecular formula C19H20F3N3OS and a molecular weight of 395.45 g/mol. Its IUPAC name is N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID86207793
Molecular FormulaC19H20F3N3OS
Molecular Weight395.45 g/mol
Exact Mass395.13
IUPAC NameN-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESO=C(NC1CCCCC1)C(Sc1nccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C19H20F3N3OS/c20-19(21,22)15-11-12-23-18(25-15)27-16(13-7-3-1-4-8-13)17(26)24-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14,16H,2,5-6,9-10H2,(H,24,26)
InChIKeyVVYNOTLPOWYDAM-UHFFFAOYSA-N
XLogP4.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 55520817
(2S)-N-cyclohexyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 1152130
(2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 51982672
N,N-dicyclohexyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 55521467
N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 132897669
(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one
CID 25466419
(2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 9038377
N-cyclopropyl-2-phenyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18134304
N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
CID 25239359
N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 42944870
N,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 75799947
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 86207793) is N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is O=C(NC1CCCCC1)C(Sc1nccc(C(F)(F)F)n1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is VVYNOTLPOWYDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3OS/c20-19(21,22)15-11-12-23-18(25-15)27-16(13-7-3-1-4-8-13)17(26)24-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14,16H,2,5-6,9-10H2,(H,24,26).
What are the key properties of N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 395.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 86207793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).