2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide

C19H24N2O2S — CID 3649534

IUPAC2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccccc1O
InChIInChI=1S/C19H24N2O2S/c22-16-4-2-1-3-15(16)20-18(24)21-17(23)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,22H,5-11H2,(H2,20,21,23,24)
InChIKeyIJQDLSHINCWMLZ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.81
Rot. Bonds3

About 2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide

2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide (PubChem CID 3649534) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide
PubChem CID3649534
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccccc1O
InChIInChI=1S/C19H24N2O2S/c22-16-4-2-1-3-15(16)20-18(24)21-17(23)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,22H,5-11H2,(H2,20,21,23,24)
InChIKeyIJQDLSHINCWMLZ-UHFFFAOYSA-N
XLogP3.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)-N-(quinolin-8-ylcarbamothioyl)acetamide
CID 2963804
2-(1-adamantyl)-N-(anilinocarbamothioyl)acetamide
CID 3988749
1-[[2-(1-adamantyl)acetyl]amino]-3-(2-methylphenyl)thiourea
CID 8017325
N-[(4-acetylphenyl)carbamothioyl]-2-(1-adamantyl)acetamide
CID 3517880
2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
CID 139249629
2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
CID 3906947
2-(1-adamantyl)-N-[(5-iodo-2-pyridinyl)carbamothioyl]acetamide
CID 2958999
2-(1-adamantyl)-N-[(4-chloro-2-nitrophenyl)carbamothioyl]acetamide
CID 4544132
2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797
2-(1-adamantyl)-N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]acetamide
CID 3905152
2-(1-adamantyl)-N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]acetamide
CID 5197012
2-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)acetamide
CID 2945373

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide (CID 3649534) is 2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccccc1O.
What is the InChIKey of 2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide?
The InChIKey is IJQDLSHINCWMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c22-16-4-2-1-3-15(16)20-18(24)21-17(23)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,22H,5-11H2,(H2,20,21,23,24).
What are the key properties of 2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide?
2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide has a molecular weight of 344.48 g/mol, XLogP of 3.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 3649534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).