N-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide

C18H23F2N3OS — CID 51236469

IUPACN-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1nc(SC(C)C(=O)Nc2c(F)cccc2F)n(CC(C)C)c1C
InChIInChI=1S/C18H23F2N3OS/c1-10(2)9-23-12(4)11(3)21-18(23)25-13(5)17(24)22-16-14(19)7-6-8-15(16)20/h6-8,10,13H,9H2,1-5H3,(H,22,24)
InChIKeyDVISTFSTLVOXPH-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.55
Rot. Bonds6

About N-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide

N-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 51236469) has the molecular formula C18H23F2N3OS and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID51236469
Molecular FormulaC18H23F2N3OS
Molecular Weight367.47 g/mol
Exact Mass367.15
IUPAC NameN-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1nc(SC(C)C(=O)Nc2c(F)cccc2F)n(CC(C)C)c1C
InChIInChI=1S/C18H23F2N3OS/c1-10(2)9-23-12(4)11(3)21-18(23)25-13(5)17(24)22-16-14(19)7-6-8-15(16)20/h6-8,10,13H,9H2,1-5H3,(H,22,24)
InChIKeyDVISTFSTLVOXPH-UHFFFAOYSA-N
XLogP4.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 40518428
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 46687583
4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide
CID 46811640
(2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8735122
N-(2,6-difluorophenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 84826663
2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,6-difluorophenyl)propanamide
CID 43014777
N-(2,6-difluorophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18091213
N-(2,6-difluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236623
(2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 978027
N-(2,6-difluorophenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46678006
N-(2,6-difluorophenyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 55416975
N-(2,6-difluorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide
CID 46435717

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide (CID 51236469) is N-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide is Cc1nc(SC(C)C(=O)Nc2c(F)cccc2F)n(CC(C)C)c1C.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is DVISTFSTLVOXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3OS/c1-10(2)9-23-12(4)11(3)21-18(23)25-13(5)17(24)22-16-14(19)7-6-8-15(16)20/h6-8,10,13H,9H2,1-5H3,(H,22,24).
What are the key properties of N-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide?
N-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 367.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 51236469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).