(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide

C16H16F3N3OS — CID 42353218

IUPAC(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1cc(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc(C)n1
InChIInChI=1S/C16H16F3N3OS/c1-9-8-14(21-11(3)20-9)24-10(2)15(23)22-13-7-5-4-6-12(13)16(17,18)19/h4-8,10H,1-3H3,(H,22,23)/t10-/m1/s1
InChIKeyBYWFOYRIWOZLNQ-SNVBAGLBSA-N
MW355.39 g/mol
LogP4.23
Rot. Bonds4

About (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide

(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 42353218) has the molecular formula C16H16F3N3OS and a molecular weight of 355.39 g/mol. Its IUPAC name is (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID42353218
Molecular FormulaC16H16F3N3OS
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC Name(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1cc(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc(C)n1
InChIInChI=1S/C16H16F3N3OS/c1-9-8-14(21-11(3)20-9)24-10(2)15(23)22-13-7-5-4-6-12(13)16(17,18)19/h4-8,10H,1-3H3,(H,22,23)/t10-/m1/s1
InChIKeyBYWFOYRIWOZLNQ-SNVBAGLBSA-N
XLogP4.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide
CID 23611424
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8952780
2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42883921
2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234179
N-(2,6-difluorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide
CID 46435717
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8936507
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8985827
2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 31904271
2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46772610
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide
CID 46402563
(2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7743440
(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide
CID 42353231

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (CID 42353218) is (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide is Cc1cc(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc(C)n1.
What is the InChIKey of (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BYWFOYRIWOZLNQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16F3N3OS/c1-9-8-14(21-11(3)20-9)24-10(2)15(23)22-13-7-5-4-6-12(13)16(17,18)19/h4-8,10H,1-3H3,(H,22,23)/t10-/m1/s1.
What are the key properties of (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 355.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 42353218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).