(2R)-N-naphthalen-1-yl-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide

C20H18N4O4S — CID 98517780

IUPAC(2R)-N-naphthalen-1-yl-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide
SMILESCC(=O)[C@@H](/N=N/c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H18N4O4S/c1-13(25)19(24-23-15-9-11-16(12-10-15)29(21,27)28)20(26)22-18-8-4-6-14-5-2-3-7-17(14)18/h2-12,19H,1H3,(H,22,26)(H2,21,27,28)/b24-23+/t19-/m1/s1
InChIKeyIEADFHIYHFNJGI-FYTMPNSFSA-N
MW410.46 g/mol
LogP3.17
Rot. Bonds6

About (2R)-N-naphthalen-1-yl-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide

(2R)-N-naphthalen-1-yl-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide (PubChem CID 98517780) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is (2R)-N-naphthalen-1-yl-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide.

Molecular Properties

Compound Name(2R)-N-naphthalen-1-yl-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide
PubChem CID98517780
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Name(2R)-N-naphthalen-1-yl-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide
SMILESCC(=O)[C@@H](/N=N/c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H18N4O4S/c1-13(25)19(24-23-15-9-11-16(12-10-15)29(21,27)28)20(26)22-18-8-4-6-14-5-2-3-7-17(14)18/h2-12,19H,1H3,(H,22,26)(H2,21,27,28)/b24-23+/t19-/m1/s1
InChIKeyIEADFHIYHFNJGI-FYTMPNSFSA-N
XLogP3.17
TPSA131.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(4-chlorophenyl)-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide
CID 98517907
N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 4852522
4-(2-naphthalen-1-ylhydrazinyl)benzenesulfonamide
CID 70469437
ethane;nitromethane;3-oxo-N-phenyl-2-phenyldiazenylbutanamide
CID 90704054
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-naphthalen-1-ylpropanamide
CID 1295084
4-[[1-(2-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]-3-nitrobenzenesulfonic acid
CID 21115874
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
CID 4074049
5-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-2-[4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-2-sulfophenyl]benzenesulfonic acid
CID 56842487
N-naphthalen-1-yl-2-(propylsulfonylamino)propanamide
CID 67204882
N-naphthalen-1-yl-4-propan-2-ylsulfonylbenzamide
CID 41148682

Frequently Asked Questions

What is the IUPAC name of (2R)-N-naphthalen-1-yl-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide?
The IUPAC name of (2R)-N-naphthalen-1-yl-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide (CID 98517780) is (2R)-N-naphthalen-1-yl-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide.
What is the SMILES notation for (2R)-N-naphthalen-1-yl-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide?
The canonical SMILES for (2R)-N-naphthalen-1-yl-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide is CC(=O)[C@@H](/N=N/c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (2R)-N-naphthalen-1-yl-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide?
The InChIKey is IEADFHIYHFNJGI-FYTMPNSFSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-13(25)19(24-23-15-9-11-16(12-10-15)29(21,27)28)20(26)22-18-8-4-6-14-5-2-3-7-17(14)18/h2-12,19H,1H3,(H,22,26)(H2,21,27,28)/b24-23+/t19-/m1/s1.
What are the key properties of (2R)-N-naphthalen-1-yl-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide?
(2R)-N-naphthalen-1-yl-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide has a molecular weight of 410.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-naphthalen-1-yl-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide is sourced from PubChem (CID 98517780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).