[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate

C20H25N3O8S2 — CID 42981152

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC
InChIInChI=1S/C20H25N3O8S2/c1-4-23(5-2)33(28,29)18-12-14(6-11-17(18)30-3)20(25)31-13-19(24)22-15-7-9-16(10-8-15)32(21,26)27/h6-12H,4-5,13H2,1-3H3,(H,22,24)(H2,21,26,27)
InChIKeyXPZXYRYZBSPKFH-UHFFFAOYSA-N
MW499.57 g/mol
LogP1.17
Rot. Bonds10

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate (PubChem CID 42981152) has the molecular formula C20H25N3O8S2 and a molecular weight of 499.57 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
PubChem CID42981152
Molecular FormulaC20H25N3O8S2
Molecular Weight499.57 g/mol
Exact Mass499.11
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC
InChIInChI=1S/C20H25N3O8S2/c1-4-23(5-2)33(28,29)18-12-14(6-11-17(18)30-3)20(25)31-13-19(24)22-15-7-9-16(10-8-15)32(21,26)27/h6-12H,4-5,13H2,1-3H3,(H,22,24)(H2,21,26,27)
InChIKeyXPZXYRYZBSPKFH-UHFFFAOYSA-N
XLogP1.17
TPSA162.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate with MolForge

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 41072245
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate
CID 7522974
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 55313740
[2-(4-chloroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 55316038
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654
(2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546179
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 41072188
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 16512574
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate
CID 55316135
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 55386018

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate (CID 42981152) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate is CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate?
The InChIKey is XPZXYRYZBSPKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O8S2/c1-4-23(5-2)33(28,29)18-12-14(6-11-17(18)30-3)20(25)31-13-19(24)22-15-7-9-16(10-8-15)32(21,26)27/h6-12H,4-5,13H2,1-3H3,(H,22,24)(H2,21,26,27).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate has a molecular weight of 499.57 g/mol, XLogP of 1.17, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 42981152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).