4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide

C24H34N2O6S — CID 159625064

IUPAC4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)C(=O)CC2C3CC4CC2CC(C(N)=O)(C4)C3)c(OC)c1
InChIInChI=1S/C24H34N2O6S/c1-23(2,26-33(29,30)20-6-5-17(31-3)9-19(20)32-4)21(27)10-18-15-7-14-8-16(18)13-24(11-14,12-15)22(25)28/h5-6,9,14-16,18,26H,7-8,10-13H2,1-4H3,(H2,25,28)
InChIKeyOOZQHNBMFOPSTD-UHFFFAOYSA-N
MW478.61 g/mol
LogP2.65
Rot. Bonds9

About 4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide

4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide (PubChem CID 159625064) has the molecular formula C24H34N2O6S and a molecular weight of 478.61 g/mol. Its IUPAC name is 4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide
PubChem CID159625064
Molecular FormulaC24H34N2O6S
Molecular Weight478.61 g/mol
Exact Mass478.21
IUPAC Name4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)C(=O)CC2C3CC4CC2CC(C(N)=O)(C4)C3)c(OC)c1
InChIInChI=1S/C24H34N2O6S/c1-23(2,26-33(29,30)20-6-5-17(31-3)9-19(20)32-4)21(27)10-18-15-7-14-8-16(18)13-24(11-14,12-15)22(25)28/h5-6,9,14-16,18,26H,7-8,10-13H2,1-4H3,(H2,25,28)
InChIKeyOOZQHNBMFOPSTD-UHFFFAOYSA-N
XLogP2.65
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide?
The IUPAC name of 4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide (CID 159625064) is 4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide.
What is the SMILES notation for 4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide?
The canonical SMILES for 4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide is COc1ccc(S(=O)(=O)NC(C)(C)C(=O)CC2C3CC4CC2CC(C(N)=O)(C4)C3)c(OC)c1.
What is the InChIKey of 4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide?
The InChIKey is OOZQHNBMFOPSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O6S/c1-23(2,26-33(29,30)20-6-5-17(31-3)9-19(20)32-4)21(27)10-18-15-7-14-8-16(18)13-24(11-14,12-15)22(25)28/h5-6,9,14-16,18,26H,7-8,10-13H2,1-4H3,(H2,25,28).
What are the key properties of 4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide?
4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide has a molecular weight of 478.61 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide is sourced from PubChem (CID 159625064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).