N-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide

C22H25FN4O2S — CID 30063411

IUPACN-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1-c1cccc(F)c1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H25FN4O2S/c23-17-2-1-3-18(9-17)27-5-4-24-21(27)30-13-19(28)25-20(29)26-22-10-14-6-15(11-22)8-16(7-14)12-22/h1-5,9,14-16H,6-8,10-13H2,(H2,25,26,28,29)
InChIKeyRILBRKASRWJEPJ-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.90
Rot. Bonds5

About N-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide

N-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 30063411) has the molecular formula C22H25FN4O2S and a molecular weight of 428.53 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID30063411
Molecular FormulaC22H25FN4O2S
Molecular Weight428.53 g/mol
Exact Mass428.17
IUPAC NameN-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1-c1cccc(F)c1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H25FN4O2S/c23-17-2-1-3-18(9-17)27-5-4-24-21(27)30-13-19(28)25-20(29)26-22-10-14-6-15(11-22)8-16(7-14)12-22/h1-5,9,14-16H,6-8,10-13H2,(H2,25,26,28,29)
InChIKeyRILBRKASRWJEPJ-UHFFFAOYSA-N
XLogP3.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529209
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 4961838
N-(2-ethylphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17487470
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8010785
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 8002445
N-(1-adamantyl)-2-[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6500581
1-(1-adamantyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone
CID 34848843
N-(2-bromo-4-methylphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 30063099
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 25406211
N'-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-1,3-benzodioxole-5-carbohydrazide
CID 9020928
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17474976
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 40665507

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide (CID 30063411) is N-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide is O=C(CSc1nccn1-c1cccc(F)c1)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is RILBRKASRWJEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2S/c23-17-2-1-3-18(9-17)27-5-4-24-21(27)30-13-19(28)25-20(29)26-22-10-14-6-15(11-22)8-16(7-14)12-22/h1-5,9,14-16H,6-8,10-13H2,(H2,25,26,28,29).
What are the key properties of N-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
N-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 428.53 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 30063411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).