N-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide

C20H18BrN3O2S — CID 46812896

IUPACN-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Sc2nccn2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H18BrN3O2S/c1-13(25)15-3-7-17(8-4-15)23-19(26)14(2)27-20-22-11-12-24(20)18-9-5-16(21)6-10-18/h3-12,14H,1-2H3,(H,23,26)
InChIKeyMUCUYSOYQUQYTP-UHFFFAOYSA-N
MW444.35 g/mol
LogP4.96
Rot. Bonds6

About N-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide

N-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 46812896) has the molecular formula C20H18BrN3O2S and a molecular weight of 444.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID46812896
Molecular FormulaC20H18BrN3O2S
Molecular Weight444.35 g/mol
Exact Mass443.03
IUPAC NameN-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Sc2nccn2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H18BrN3O2S/c1-13(25)15-3-7-17(8-4-15)23-19(26)14(2)27-20-22-11-12-24(20)18-9-5-16(21)6-10-18/h3-12,14H,1-2H3,(H,23,26)
InChIKeyMUCUYSOYQUQYTP-UHFFFAOYSA-N
XLogP4.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.35
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanoyl]amino]benzamide
CID 40809539
(2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40506992
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 46812967
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide
CID 24500840
(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
CID 2561528
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 43027335
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 46812280
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 24500843
(2R)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 41156326
4-[[(2S)-2-(1-methylimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
CID 40608634
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 37286849
N-(3-acetylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 55368272

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide (CID 46812896) is N-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide is CC(=O)c1ccc(NC(=O)C(C)Sc2nccn2-c2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is MUCUYSOYQUQYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O2S/c1-13(25)15-3-7-17(8-4-15)23-19(26)14(2)27-20-22-11-12-24(20)18-9-5-16(21)6-10-18/h3-12,14H,1-2H3,(H,23,26).
What are the key properties of N-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide?
N-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 444.35 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 46812896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).