N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide

C18H28N2O2S — CID 4821581

IUPACN-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide
SMILESO=C(CSC1CCCC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H28N2O2S/c21-16(11-23-15-3-1-2-4-15)19-17(22)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15H,1-11H2,(H2,19,20,21,22)
InChIKeyHKDXKPJZJGTOQE-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.46
Rot. Bonds4

About N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide

N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide (PubChem CID 4821581) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide
PubChem CID4821581
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide
SMILESO=C(CSC1CCCC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H28N2O2S/c21-16(11-23-15-3-1-2-4-15)19-17(22)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15H,1-11H2,(H2,19,20,21,22)
InChIKeyHKDXKPJZJGTOQE-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-2-cyclohexylsulfanylacetamide
CID 8705689
N-[(1S)-1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide
CID 7395653
N-(cyclohexylcarbamoyl)-2-cyclohexylsulfanylacetamide
CID 8705522
N-(1-adamantyl)-2-cyclohexylacetamide
CID 23739251
N-(1-adamantylcarbamoyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46695311
1-(1-adamantyl)-3-cyclododecylurea
CID 22978783
N-(1-adamantylcarbamoyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9026001
N-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529209
N-(1-adamantylcarbamoyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7866608
N-(1-adamantylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7654880
(3aS,6aR)-2-[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120680990
N-(1-adamantylcarbamoyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 17484917

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide (CID 4821581) is N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide is O=C(CSC1CCCC1)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide?
The InChIKey is HKDXKPJZJGTOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c21-16(11-23-15-3-1-2-4-15)19-17(22)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15H,1-11H2,(H2,19,20,21,22).
What are the key properties of N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide?
N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide has a molecular weight of 336.50 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide is sourced from PubChem (CID 4821581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).