(2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide

C20H19F2N3OS — CID 40675180

IUPAC(2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1cc(C)cc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C20H19F2N3OS/c1-12-8-13(2)10-16(9-12)25-7-6-23-20(25)27-14(3)19(26)24-18-5-4-15(21)11-17(18)22/h4-11,14H,1-3H3,(H,24,26)/t14-/m1/s1
InChIKeyCYCDNNYJXAEBGZ-CQSZACIVSA-N
MW387.46 g/mol
LogP4.89
Rot. Bonds5

About (2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide

(2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 40675180) has the molecular formula C20H19F2N3OS and a molecular weight of 387.46 g/mol. Its IUPAC name is (2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID40675180
Molecular FormulaC20H19F2N3OS
Molecular Weight387.46 g/mol
Exact Mass387.12
IUPAC Name(2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1cc(C)cc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C20H19F2N3OS/c1-12-8-13(2)10-16(9-12)25-7-6-23-20(25)27-14(3)19(26)24-18-5-4-15(21)11-17(18)22/h4-11,14H,1-3H3,(H,24,26)/t14-/m1/s1
InChIKeyCYCDNNYJXAEBGZ-CQSZACIVSA-N
XLogP4.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675179
N-(2,4-difluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46625433
N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 43024379
(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide
CID 25390555
N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 24558232
N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2947131
(2S)-N-(4-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40665575
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
N-(2,4-difluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51234160
(2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide
CID 40654380
N-(2,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630035
(2S)-N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890306

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide (CID 40675180) is (2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide is Cc1cc(C)cc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of (2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is CYCDNNYJXAEBGZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19F2N3OS/c1-12-8-13(2)10-16(9-12)25-7-6-23-20(25)27-14(3)19(26)24-18-5-4-15(21)11-17(18)22/h4-11,14H,1-3H3,(H,24,26)/t14-/m1/s1.
What are the key properties of (2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
(2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 387.46 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 40675180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).