[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate

C22H22N2O6S — CID 2689452

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H22N2O6S/c1-29-20-13-17-5-3-2-4-16(17)12-19(20)22(26)30-14-21(25)24-11-10-15-6-8-18(9-7-15)31(23,27)28/h2-9,12-13H,10-11,14H2,1H3,(H,24,25)(H2,23,27,28)
InChIKeyFWNWSKZJEQIHHZ-UHFFFAOYSA-N
MW442.49 g/mol
LogP2.01
Rot. Bonds8

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate (PubChem CID 2689452) has the molecular formula C22H22N2O6S and a molecular weight of 442.49 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate
PubChem CID2689452
Molecular FormulaC22H22N2O6S
Molecular Weight442.49 g/mol
Exact Mass442.12
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H22N2O6S/c1-29-20-13-17-5-3-2-4-16(17)12-19(20)22(26)30-14-21(25)24-11-10-15-6-8-18(9-7-15)31(23,27)28/h2-9,12-13H,10-11,14H2,1H3,(H,24,25)(H2,23,27,28)
InChIKeyFWNWSKZJEQIHHZ-UHFFFAOYSA-N
XLogP2.01
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate
CID 16556676
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2587537
[2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 8663640
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 8569114
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate
CID 24671488
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614932
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate
CID 2103334
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate
CID 7891668
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate
CID 55316135
2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40613651
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate (CID 2689452) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate is COc1cc2ccccc2cc1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate?
The InChIKey is FWNWSKZJEQIHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S/c1-29-20-13-17-5-3-2-4-16(17)12-19(20)22(26)30-14-21(25)24-11-10-15-6-8-18(9-7-15)31(23,27)28/h2-9,12-13H,10-11,14H2,1H3,(H,24,25)(H2,23,27,28).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate has a molecular weight of 442.49 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 2689452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).