N-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide

C20H19FN4O2S — CID 55423602

IUPACN-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCC(Sc1nccn1-c1cccc(F)c1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C20H19FN4O2S/c1-14(18(26)24-19(27)23-13-15-6-3-2-4-7-15)28-20-22-10-11-25(20)17-9-5-8-16(21)12-17/h2-12,14H,13H2,1H3,(H2,23,24,26,27)
InChIKeyFHNQIRJDMZPGPH-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.52
Rot. Bonds6

About N-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide

N-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 55423602) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID55423602
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC NameN-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCC(Sc1nccn1-c1cccc(F)c1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C20H19FN4O2S/c1-14(18(26)24-19(27)23-13-15-6-3-2-4-7-15)28-20-22-10-11-25(20)17-9-5-8-16(21)12-17/h2-12,14H,13H2,1H3,(H2,23,24,26,27)
InChIKeyFHNQIRJDMZPGPH-UHFFFAOYSA-N
XLogP3.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40665651
N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 24558232
(2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide
CID 40518644
2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(benzylcarbamoyl)propanamide
CID 46574256
(2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740706
N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51279989
(2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 40804725
(2R)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 40792536
(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide
CID 25390555
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 33235361
N-(benzylcarbamoyl)-2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 55424119
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 4961838

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide (CID 55423602) is N-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide is CC(Sc1nccn1-c1cccc(F)c1)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is FHNQIRJDMZPGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c1-14(18(26)24-19(27)23-13-15-6-3-2-4-7-15)28-20-22-10-11-25(20)17-9-5-8-16(21)12-17/h2-12,14H,13H2,1H3,(H2,23,24,26,27).
What are the key properties of N-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide?
N-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 398.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 55423602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).