N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide

C17H14ClFN4OS — CID 46825569

IUPACN-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H14ClFN4OS/c1-10(16(24)23-15-7-4-12(18)8-20-15)25-17-21-9-14(22-17)11-2-5-13(19)6-3-11/h2-10H,1H3,(H,21,22)(H,20,23,24)
InChIKeyAVPZBLXTJVGCSH-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.38
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide

N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide (PubChem CID 46825569) has the molecular formula C17H14ClFN4OS and a molecular weight of 376.84 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
PubChem CID46825569
Molecular FormulaC17H14ClFN4OS
Molecular Weight376.84 g/mol
Exact Mass376.06
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H14ClFN4OS/c1-10(16(24)23-15-7-4-12(18)8-20-15)25-17-21-9-14(22-17)11-2-5-13(19)6-3-11/h2-10H,1H3,(H,21,22)(H,20,23,24)
InChIKeyAVPZBLXTJVGCSH-UHFFFAOYSA-N
XLogP4.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 7989573
N-(2-chloro-5-nitrophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
CID 46825626
(2R)-N-(1,3-benzodioxol-5-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
CID 27736341
(2R)-N-(5-chloro-2-pyridinyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 2536471
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenoxy)propanamide
CID 42561555
(2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 25339836
(2S)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 2603225
N-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 18083179
(2S)-2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 40797731
2-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)sulfanylacetamide;hydrochloride
CID 50898897
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-tert-butylpropanamide
CID 24500657
(2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 1242345

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide (CID 46825569) is N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide is CC(Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide?
The InChIKey is AVPZBLXTJVGCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4OS/c1-10(16(24)23-15-7-4-12(18)8-20-15)25-17-21-9-14(22-17)11-2-5-13(19)6-3-11/h2-10H,1H3,(H,21,22)(H,20,23,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide?
N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide has a molecular weight of 376.84 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 46825569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).