(2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide

C20H20FN3O2S — CID 25339836

IUPAC(2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@@H](C)Sc2ncc(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C20H20FN3O2S/c1-13(19(25)22-11-14-3-9-17(26-2)10-4-14)27-20-23-12-18(24-20)15-5-7-16(21)8-6-15/h3-10,12-13H,11H2,1-2H3,(H,22,25)(H,23,24)/t13-/m1/s1
InChIKeyUJBGLZQXQFHBKC-CYBMUJFWSA-N
MW385.46 g/mol
LogP4.02
Rot. Bonds7

About (2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide

(2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 25339836) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is (2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID25339836
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name(2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@@H](C)Sc2ncc(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C20H20FN3O2S/c1-13(19(25)22-11-14-3-9-17(26-2)10-4-14)27-20-23-12-18(24-20)15-5-7-16(21)8-6-15/h3-10,12-13H,11H2,1-2H3,(H,22,25)(H,23,24)/t13-/m1/s1
InChIKeyUJBGLZQXQFHBKC-CYBMUJFWSA-N
XLogP4.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
CID 18194225
(2S)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 7300658
(2R)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 2508772
2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide
CID 126808990
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 135703427
N-[(3,4-dimethoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 27736284
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51546951
N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
CID 46825569
methyl 2-[2-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135689709
N-[(4-fluorophenyl)methyl]-2-[[5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 55419539
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide (CID 25339836) is (2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)[C@@H](C)Sc2ncc(-c3ccc(F)cc3)[nH]2)cc1.
What is the InChIKey of (2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is UJBGLZQXQFHBKC-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-13(19(25)22-11-14-3-9-17(26-2)10-4-14)27-20-23-12-18(24-20)15-5-7-16(21)8-6-15/h3-10,12-13H,11H2,1-2H3,(H,22,25)(H,23,24)/t13-/m1/s1.
What are the key properties of (2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide?
(2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 385.46 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 25339836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).