[2-(1-adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate

C22H29N3O6S — CID 5032977

IUPAC[2-(1-adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H29N3O6S/c1-14(26)24-18-2-4-19(5-3-18)32(29,30)23-12-21(28)31-13-20(27)25-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,15-17,23H,6-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyKORIKMHCRCIKMR-UHFFFAOYSA-N
MW463.56 g/mol
LogP1.55
Rot. Bonds8

About [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate

[2-(1-adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate (PubChem CID 5032977) has the molecular formula C22H29N3O6S and a molecular weight of 463.56 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
PubChem CID5032977
Molecular FormulaC22H29N3O6S
Molecular Weight463.56 g/mol
Exact Mass463.18
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H29N3O6S/c1-14(26)24-18-2-4-19(5-3-18)32(29,30)23-12-21(28)31-13-20(27)25-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,15-17,23H,6-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyKORIKMHCRCIKMR-UHFFFAOYSA-N
XLogP1.55
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate with MolForge

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Related Compounds

(2-Anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2338780
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate
CID 2998875
Ethyl 2-(N-benzyl4-acetamidobenzenesulfonamido)acetate
CID 3239570
[1-Oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(adamantane-1-carbonylamino)acetate
CID 4029771
[2-(Cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 4305442
2-{[4-(Aminosulfonyl)phenyl]amino}-2-oxoethyl adamantane-1-carboxylate
CID 4560537
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 6215997
[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate;N,N-dimethylformamide
CID 15944957
[2-[4-(Diethylsulfamoyl)anilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 16274187
[2-(Benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 3344348
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3951466
2-methoxy-N-{4-[(2-phenylethyl)sulfamoyl]phenyl}acetamide
CID 889485

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate (CID 5032977) is [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate is CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The InChIKey is KORIKMHCRCIKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S/c1-14(26)24-18-2-4-19(5-3-18)32(29,30)23-12-21(28)31-13-20(27)25-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,15-17,23H,6-13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
[2-(1-adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate has a molecular weight of 463.56 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate is sourced from PubChem (CID 5032977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).