2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate

C19H22N2O6S — CID 34373179

IUPAC2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H22N2O6S/c1-13-9-14(2)11-15(10-13)19(23)21-12-18(22)27-8-7-26-16-3-5-17(6-4-16)28(20,24)25/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyMVIATBGVNZZGKK-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.30
Rot. Bonds8

About 2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate

2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate (PubChem CID 34373179) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
PubChem CID34373179
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H22N2O6S/c1-13-9-14(2)11-15(10-13)19(23)21-12-18(22)27-8-7-26-16-3-5-17(6-4-16)28(20,24)25/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyMVIATBGVNZZGKK-UHFFFAOYSA-N
XLogP1.30
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide
CID 2468601
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 4842502
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880664
2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885053
2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate
CID 34429524
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8787743
4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 17371674
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate?
The IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate (CID 34373179) is 2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate.
What is the SMILES notation for 2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate?
The canonical SMILES for 2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate is Cc1cc(C)cc(C(=O)NCC(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate?
The InChIKey is MVIATBGVNZZGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-13-9-14(2)11-15(10-13)19(23)21-12-18(22)27-8-7-26-16-3-5-17(6-4-16)28(20,24)25/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,23)(H2,20,24,25).
What are the key properties of 2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate?
2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate has a molecular weight of 406.46 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenoxy)ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate is sourced from PubChem (CID 34373179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).