[2-(1-adamantylamino)-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate

C20H24Cl2N2O5S — CID 5136497

IUPAC[2-(1-adamantylamino)-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24Cl2N2O5S/c21-15-2-1-3-16(22)19(15)30(27,28)23-10-18(26)29-11-17(25)24-20-7-12-4-13(8-20)6-14(5-12)9-20/h1-3,12-14,23H,4-11H2,(H,24,25)
InChIKeyCMPKUDCWKRUFGC-UHFFFAOYSA-N
MW475.39 g/mol
LogP2.90
Rot. Bonds7

About [2-(1-adamantylamino)-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate

[2-(1-adamantylamino)-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate (PubChem CID 5136497) has the molecular formula C20H24Cl2N2O5S and a molecular weight of 475.39 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
PubChem CID5136497
Molecular FormulaC20H24Cl2N2O5S
Molecular Weight475.39 g/mol
Exact Mass474.08
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24Cl2N2O5S/c21-15-2-1-3-16(22)19(15)30(27,28)23-10-18(26)29-11-17(25)24-20-7-12-4-13(8-20)6-14(5-12)9-20/h1-3,12-14,23H,4-11H2,(H,24,25)
InChIKeyCMPKUDCWKRUFGC-UHFFFAOYSA-N
XLogP2.90
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-adamantylamino)-2-oxoethyl] 2-benzamidoacetate
CID 4802592
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
CID 41152349
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
CID 4648433
[2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate
CID 3502663
[2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate
CID 5158793
[2-(1-adamantylamino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 5032959
[2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844599
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190874
[2-(1-adamantylamino)-2-oxoethyl] 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate
CID 25035072
[2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4310598
N-(1-adamantyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26909871
[2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884866

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate (CID 5136497) is [2-(1-adamantylamino)-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate is O=C(COC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate?
The InChIKey is CMPKUDCWKRUFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O5S/c21-15-2-1-3-16(22)19(15)30(27,28)23-10-18(26)29-11-17(25)24-20-7-12-4-13(8-20)6-14(5-12)9-20/h1-3,12-14,23H,4-11H2,(H,24,25).
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate?
[2-(1-adamantylamino)-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate has a molecular weight of 475.39 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 5136497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).