[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate

C21H26N2O6S — CID 16534909

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate
SMILESCC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C21H26N2O6S/c1-21(2,3)15-7-9-17(10-8-15)28-12-11-20(25)29-14-19(24)23-16-5-4-6-18(13-16)30(22,26)27/h4-10,13H,11-12,14H2,1-3H3,(H,23,24)(H2,22,26,27)
InChIKeyDDWMHCJRGHSJGW-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.58
Rot. Bonds8

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate (PubChem CID 16534909) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate
PubChem CID16534909
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate
SMILESCC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C21H26N2O6S/c1-21(2,3)15-7-9-17(10-8-15)28-12-11-20(25)29-14-19(24)23-16-5-4-6-18(13-16)30(22,26)27/h4-10,13H,11-12,14H2,1-3H3,(H,23,24)(H2,22,26,27)
InChIKeyDDWMHCJRGHSJGW-UHFFFAOYSA-N
XLogP2.58
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 9328974
[2-(4-tert-butylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841562
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856014
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856033
[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 9329071
[2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate
CID 7790348
[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856024
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate
CID 2608529
[2-(2-chloroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856011
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856003
3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide
CID 2408222
[2-(3-cyanoanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 2095980

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate (CID 16534909) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate is CC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate?
The InChIKey is DDWMHCJRGHSJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-21(2,3)15-7-9-17(10-8-15)28-12-11-20(25)29-14-19(24)23-16-5-4-6-18(13-16)30(22,26)27/h4-10,13H,11-12,14H2,1-3H3,(H,23,24)(H2,22,26,27).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate has a molecular weight of 434.51 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate is sourced from PubChem (CID 16534909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).