[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

C24H33N3O6S — CID 24979218

IUPAC[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33N3O6S/c1-15-4-5-19(34(31,32)27(2)3)9-20(15)26-21(28)14-33-22(29)13-25-23(30)24-10-16-6-17(11-24)8-18(7-16)12-24/h4-5,9,16-18H,6-8,10-14H2,1-3H3,(H,25,30)(H,26,28)
InChIKeyPOBQSOXZAREGAH-UHFFFAOYSA-N
MW491.61 g/mol
LogP2.06
Rot. Bonds8

About [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (PubChem CID 24979218) has the molecular formula C24H33N3O6S and a molecular weight of 491.61 g/mol. Its IUPAC name is [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.

Molecular Properties

Compound Name[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
PubChem CID24979218
Molecular FormulaC24H33N3O6S
Molecular Weight491.61 g/mol
Exact Mass491.21
IUPAC Name[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33N3O6S/c1-15-4-5-19(34(31,32)27(2)3)9-20(15)26-21(28)14-33-22(29)13-25-23(30)24-10-16-6-17(11-24)8-18(7-16)12-24/h4-5,9,16-18H,6-8,10-14H2,1-3H3,(H,25,30)(H,26,28)
InChIKeyPOBQSOXZAREGAH-UHFFFAOYSA-N
XLogP2.06
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (CID 24979218) is [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.
What is the SMILES notation for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The canonical SMILES for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The InChIKey is POBQSOXZAREGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6S/c1-15-4-5-19(34(31,32)27(2)3)9-20(15)26-21(28)14-33-22(29)13-25-23(30)24-10-16-6-17(11-24)8-18(7-16)12-24/h4-5,9,16-18H,6-8,10-14H2,1-3H3,(H,25,30)(H,26,28).
What are the key properties of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate has a molecular weight of 491.61 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is sourced from PubChem (CID 24979218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).