[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate

C21H27N3O6S — CID 3951466

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H27N3O6S/c22-31(28,29)17-3-1-16(2-4-17)24-18(25)12-30-19(26)11-23-20(27)21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,13-15H,5-12H2,(H,23,27)(H,24,25)(H2,22,28,29)
InChIKeyISYNLOSXLHEJMJ-UHFFFAOYSA-N
MW449.53 g/mol
LogP1.15
Rot. Bonds7

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate (PubChem CID 3951466) has the molecular formula C21H27N3O6S and a molecular weight of 449.53 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate
PubChem CID3951466
Molecular FormulaC21H27N3O6S
Molecular Weight449.53 g/mol
Exact Mass449.16
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H27N3O6S/c22-31(28,29)17-3-1-16(2-4-17)24-18(25)12-30-19(26)11-23-20(27)21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,13-15H,5-12H2,(H,23,27)(H,24,25)(H2,22,28,29)
InChIKeyISYNLOSXLHEJMJ-UHFFFAOYSA-N
XLogP1.15
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate (CID 3951466) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate?
The InChIKey is ISYNLOSXLHEJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S/c22-31(28,29)17-3-1-16(2-4-17)24-18(25)12-30-19(26)11-23-20(27)21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,13-15H,5-12H2,(H,23,27)(H,24,25)(H2,22,28,29).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate has a molecular weight of 449.53 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate is sourced from PubChem (CID 3951466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).