[2-(cyclopropylmethylamino)-2-oxoethyl] 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoate

C24H23N5O6S — CID 154966023

IUPAC[2-(cyclopropylmethylamino)-2-oxoethyl] 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoate
SMILESO=C(COC(=O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O)NCC1CC1
InChIInChI=1S/C24H23N5O6S/c30-21-11-8-18(13-20(21)24(32)35-15-23(31)26-14-16-4-5-16)28-27-17-6-9-19(10-7-17)36(33,34)29-22-3-1-2-12-25-22/h1-3,6-13,16,30H,4-5,14-15H2,(H,25,29)(H,26,31)/b28-27+
InChIKeyZTDXSIMGCYOQGO-BYYHNAKLSA-N
MW509.54 g/mol
LogP3.69
Rot. Bonds10

About [2-(cyclopropylmethylamino)-2-oxoethyl] 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoate

[2-(cyclopropylmethylamino)-2-oxoethyl] 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoate (PubChem CID 154966023) has the molecular formula C24H23N5O6S and a molecular weight of 509.54 g/mol. Its IUPAC name is [2-(cyclopropylmethylamino)-2-oxoethyl] 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoate.

Molecular Properties

Compound Name[2-(cyclopropylmethylamino)-2-oxoethyl] 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoate
PubChem CID154966023
Molecular FormulaC24H23N5O6S
Molecular Weight509.54 g/mol
Exact Mass509.14
IUPAC Name[2-(cyclopropylmethylamino)-2-oxoethyl] 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoate
SMILESO=C(COC(=O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O)NCC1CC1
InChIInChI=1S/C24H23N5O6S/c30-21-11-8-18(13-20(21)24(32)35-15-23(31)26-14-16-4-5-16)28-27-17-6-9-19(10-7-17)36(33,34)29-22-3-1-2-12-25-22/h1-3,6-13,16,30H,4-5,14-15H2,(H,25,29)(H,26,31)/b28-27+
InChIKeyZTDXSIMGCYOQGO-BYYHNAKLSA-N
XLogP3.69
TPSA159.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.54
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2-oxo-2-piperazin-1-ylethyl) 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoate
CID 154966021
4-[(4-hydroxy-3-propanoylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 167078695
2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl](14C)benzoic acid
CID 136795422
5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]-2-sulfooxybenzoic acid
CID 170455182
[4-[2-amino-3-[6-[[4-[3-[4-[[[5-[[2-amino-3-[4-[2-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-6-[2-amino-3-[4-[2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoyl]oxy-3-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxy-4-oxohexanoyl]amino]methyl]cyclohexanecarbonyl]oxy-2-methoxypropoxy]carbonylcyclohexyl]methylamino]-2-[[2-amino-3-[3-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxy-4-[2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl]propanoyl]oxymethyl]-3,6-dioxohexoxy]-3-oxopropyl]-2-[2-hydroxy-5-[2-[4-(phenylsulfamoyl)phenyl]hydrazinyl]benzoyl]oxyphenyl] 2-hydroxy-5-[2-[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinyl]benzoate
CID 58942931
3-[2-(ethylamino)-2-oxoethyl]-2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
CID 150121032
[2-(cyclopropylmethylamino)-2-oxoethyl] 2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylate
CID 71896912
4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 72735611
[2-acetyl-4-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]phenyl] octanoate;ethane
CID 144798775
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 3572443
4-[cyclohexyl(methyl)amino]-2-hydroxy-3-(2-oxoethyl)-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
CID 150943844
[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
CID 25034866

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethylamino)-2-oxoethyl] 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoate?
The IUPAC name of [2-(cyclopropylmethylamino)-2-oxoethyl] 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoate (CID 154966023) is [2-(cyclopropylmethylamino)-2-oxoethyl] 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoate.
What is the SMILES notation for [2-(cyclopropylmethylamino)-2-oxoethyl] 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoate?
The canonical SMILES for [2-(cyclopropylmethylamino)-2-oxoethyl] 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoate is O=C(COC(=O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O)NCC1CC1.
What is the InChIKey of [2-(cyclopropylmethylamino)-2-oxoethyl] 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoate?
The InChIKey is ZTDXSIMGCYOQGO-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H23N5O6S/c30-21-11-8-18(13-20(21)24(32)35-15-23(31)26-14-16-4-5-16)28-27-17-6-9-19(10-7-17)36(33,34)29-22-3-1-2-12-25-22/h1-3,6-13,16,30H,4-5,14-15H2,(H,25,29)(H,26,31)/b28-27+.
What are the key properties of [2-(cyclopropylmethylamino)-2-oxoethyl] 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoate?
[2-(cyclopropylmethylamino)-2-oxoethyl] 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoate has a molecular weight of 509.54 g/mol, XLogP of 3.69, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethylamino)-2-oxoethyl] 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoate is sourced from PubChem (CID 154966023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).