2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide

C19H24N2O3S — CID 8513112

IUPAC2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CSC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O3S/c1-12-3-2-4-16(21(23)24)18(12)20-17(22)11-25-19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15H,5-11H2,1H3,(H,20,22)
InChIKeyUGZUCYQGLQCAHA-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.54
Rot. Bonds5

About 2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide

2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide (PubChem CID 8513112) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide
PubChem CID8513112
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CSC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O3S/c1-12-3-2-4-16(21(23)24)18(12)20-17(22)11-25-19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15H,5-11H2,1H3,(H,20,22)
InChIKeyUGZUCYQGLQCAHA-UHFFFAOYSA-N
XLogP4.54
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(1-adamantylsulfanyl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8513401
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8930876
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7458807
N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide
CID 13478077
trans-[2-(2-methyl-6-nitroanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776755
N-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 7474559
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8900115
N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide
CID 8512794
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 7863902
N-(2-methyl-6-nitrophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7646147
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 40682580
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 7404958

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide?
The IUPAC name of 2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide (CID 8513112) is 2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide.
What is the SMILES notation for 2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide?
The canonical SMILES for 2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide is Cc1cccc([N+](=O)[O-])c1NC(=O)CSC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide?
The InChIKey is UGZUCYQGLQCAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-12-3-2-4-16(21(23)24)18(12)20-17(22)11-25-19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15H,5-11H2,1H3,(H,20,22).
What are the key properties of 2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide?
2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide is sourced from PubChem (CID 8513112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).