N-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide

C20H23N3O3S — CID 4811630

IUPACN-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H23N3O3S/c24-17(11-27-19-21-15-3-1-2-4-16(15)26-19)22-18(25)23-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H2,22,23,24,25)
InChIKeyUMPYYCOAIUBLEK-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.71
Rot. Bonds4

About N-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide

N-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide (PubChem CID 4811630) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
PubChem CID4811630
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H23N3O3S/c24-17(11-27-19-21-15-3-1-2-4-16(15)26-19)22-18(25)23-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H2,22,23,24,25)
InChIKeyUMPYYCOAIUBLEK-UHFFFAOYSA-N
XLogP3.71
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-adamantylamino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836298
N-[(1R)-1-(1-adamantyl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 7464685
N-(1-adamantylcarbamoyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 4811811
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40755966
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 7756631
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751340
2-(1,3-benzoxazol-2-ylsulfanyl)-N-pentan-3-ylacetamide
CID 2693066
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-hydroxypropyl)acetamide
CID 5128603
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 890231
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 51707862
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79404054
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide
CID 708751

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide (CID 4811630) is N-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide is O=C(CSc1nc2ccccc2o1)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The InChIKey is UMPYYCOAIUBLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-17(11-27-19-21-15-3-1-2-4-16(15)26-19)22-18(25)23-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H2,22,23,24,25).
What are the key properties of N-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
N-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide has a molecular weight of 385.49 g/mol, XLogP of 3.71, 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-(1,3-benzoxazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 4811630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).