N-(5-hydroxy-2-adamantyl)-2-methyl-2-[methyl-(2-methylphenyl)sulfonylamino]propanamide

C22H32N2O4S — CID 71246325

IUPACN-(5-hydroxy-2-adamantyl)-2-methyl-2-[methyl-(2-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccccc1S(=O)(=O)N(C)C(C)(C)C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C22H32N2O4S/c1-14-7-5-6-8-18(14)29(27,28)24(4)21(2,3)20(25)23-19-16-9-15-10-17(19)13-22(26,11-15)12-16/h5-8,15-17,19,26H,9-13H2,1-4H3,(H,23,25)
InChIKeySGPFFAUPFDRMJV-UHFFFAOYSA-N
MW420.58 g/mol
LogP2.45
Rot. Bonds5

About N-(5-hydroxy-2-adamantyl)-2-methyl-2-[methyl-(2-methylphenyl)sulfonylamino]propanamide

N-(5-hydroxy-2-adamantyl)-2-methyl-2-[methyl-(2-methylphenyl)sulfonylamino]propanamide (PubChem CID 71246325) has the molecular formula C22H32N2O4S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-2-methyl-2-[methyl-(2-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-2-methyl-2-[methyl-(2-methylphenyl)sulfonylamino]propanamide
PubChem CID71246325
Molecular FormulaC22H32N2O4S
Molecular Weight420.58 g/mol
Exact Mass420.21
IUPAC NameN-(5-hydroxy-2-adamantyl)-2-methyl-2-[methyl-(2-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccccc1S(=O)(=O)N(C)C(C)(C)C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C22H32N2O4S/c1-14-7-5-6-8-18(14)29(27,28)24(4)21(2,3)20(25)23-19-16-9-15-10-17(19)13-22(26,11-15)12-16/h5-8,15-17,19,26H,9-13H2,1-4H3,(H,23,25)
InChIKeySGPFFAUPFDRMJV-UHFFFAOYSA-N
XLogP2.45
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-2-methyl-2-[methyl-(2-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-2-methyl-2-[methyl-(2-methylphenyl)sulfonylamino]propanamide (CID 71246325) is N-(5-hydroxy-2-adamantyl)-2-methyl-2-[methyl-(2-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-2-methyl-2-[methyl-(2-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-2-methyl-2-[methyl-(2-methylphenyl)sulfonylamino]propanamide is Cc1ccccc1S(=O)(=O)N(C)C(C)(C)C(=O)NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-2-methyl-2-[methyl-(2-methylphenyl)sulfonylamino]propanamide?
The InChIKey is SGPFFAUPFDRMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4S/c1-14-7-5-6-8-18(14)29(27,28)24(4)21(2,3)20(25)23-19-16-9-15-10-17(19)13-22(26,11-15)12-16/h5-8,15-17,19,26H,9-13H2,1-4H3,(H,23,25).
What are the key properties of N-(5-hydroxy-2-adamantyl)-2-methyl-2-[methyl-(2-methylphenyl)sulfonylamino]propanamide?
N-(5-hydroxy-2-adamantyl)-2-methyl-2-[methyl-(2-methylphenyl)sulfonylamino]propanamide has a molecular weight of 420.58 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-2-methyl-2-[methyl-(2-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 71246325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).