N-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

C17H24N4O2S — CID 40529209

IUPACN-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24N4O2S/c1-21-3-2-18-16(21)24-10-14(22)19-15(23)20-17-7-11-4-12(8-17)6-13(5-11)9-17/h2-3,11-13H,4-10H2,1H3,(H2,19,20,22,23)
InChIKeyAIRUZFLERBKPLV-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.31
Rot. Bonds4

About N-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 40529209) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID40529209
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24N4O2S/c1-21-3-2-18-16(21)24-10-14(22)19-15(23)20-17-7-11-4-12(8-17)6-13(5-11)9-17/h2-3,11-13H,4-10H2,1H3,(H2,19,20,22,23)
InChIKeyAIRUZFLERBKPLV-UHFFFAOYSA-N
XLogP2.31
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-adamantylcarbamoyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7866608
N-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 30063411
N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529241
N-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8625253
N-(1-adamantylcarbamoyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 4811811
N-(1-adamantylcarbamoyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16511373
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
N-(1-adamantylcarbamoyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9026001
N-(1-adamantylcarbamoyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4811747
N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 47144441
N-(1-adamantylcarbamoyl)-2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4811793
N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 30605276

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 40529209) is N-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is AIRUZFLERBKPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-21-3-2-18-16(21)24-10-14(22)19-15(23)20-17-7-11-4-12(8-17)6-13(5-11)9-17/h2-3,11-13H,4-10H2,1H3,(H2,19,20,22,23).
What are the key properties of N-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 348.47 g/mol, XLogP of 2.31, 4 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-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 40529209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).