(2R)-2-[[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide

C25H24N8O4S — CID 177375295

IUPAC(2R)-2-[[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-n2cc(CCn3nc4ccccc4n3)nn2)cc1
InChIInChI=1S/C25H24N8O4S/c34-25(29-35)24(16-18-6-2-1-3-7-18)30-38(36,37)21-12-10-20(11-13-21)32-17-19(26-31-32)14-15-33-27-22-8-4-5-9-23(22)28-33/h1-13,17,24,30,35H,14-16H2,(H,29,34)/t24-/m1/s1
InChIKeyPPTDGJGPIAVTBX-XMMPIXPASA-N
MW532.59 g/mol
LogP1.65
Rot. Bonds10

About (2R)-2-[[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide

(2R)-2-[[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide (PubChem CID 177375295) has the molecular formula C25H24N8O4S and a molecular weight of 532.59 g/mol. Its IUPAC name is (2R)-2-[[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide
PubChem CID177375295
Molecular FormulaC25H24N8O4S
Molecular Weight532.59 g/mol
Exact Mass532.16
IUPAC Name(2R)-2-[[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-n2cc(CCn3nc4ccccc4n3)nn2)cc1
InChIInChI=1S/C25H24N8O4S/c34-25(29-35)24(16-18-6-2-1-3-7-18)30-38(36,37)21-12-10-20(11-13-21)32-17-19(26-31-32)14-15-33-27-22-8-4-5-9-23(22)28-33/h1-13,17,24,30,35H,14-16H2,(H,29,34)/t24-/m1/s1
InChIKeyPPTDGJGPIAVTBX-XMMPIXPASA-N
XLogP1.65
TPSA156.92 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.59
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-phenyl-2-[[4-[1-(4-phenylphenyl)triazol-4-yl]phenyl]sulfonylamino]propanamide
CID 168281663
2-[[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide
CID 71547432
(2R)-2-[[4-[4-[2-(1,3-dioxo-3a,7a-dihydroisoindol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide
CID 177375297
(2R)-2-[[4-[4-[2-(5-bromo-1,3-dioxo-3a,7a-dihydroisoindol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide
CID 177375298
(2R)-N-hydroxy-2-[[4-[4-[2-(5-methyl-1,3-dioxo-3a,7a-dihydroisoindol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-3-phenylpropanamide
CID 177375299
2-[[4-[4-(3-fluorophenyl)triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide
CID 71547356
2-[1,1-dioxo-2-(4-pyrazol-1-ylphenyl)-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide
CID 59613961
N-[4-[4-[3-[1-[4-(acetylsulfamoyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfonylacetamide
CID 155193892
N-[4-[4-[3-[1-[4-[methyl(pentyl)sulfamoyl]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]sulfinylacetamide
CID 155204593
2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide
CID 163283539
(2S)-2-[N-[2-(benzotriazol-1-yl)acetyl]-4-(dimethylsulfamoyl)anilino]-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide
CID 1168408
(2R)-2-[N-[2-(benzotriazol-1-yl)acetyl]-4-(dimethylsulfamoyl)anilino]-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide
CID 1168409

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide?
The IUPAC name of (2R)-2-[[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide (CID 177375295) is (2R)-2-[[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide is O=C(NO)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-n2cc(CCn3nc4ccccc4n3)nn2)cc1.
What is the InChIKey of (2R)-2-[[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide?
The InChIKey is PPTDGJGPIAVTBX-XMMPIXPASA-N. The full InChI is InChI=1S/C25H24N8O4S/c34-25(29-35)24(16-18-6-2-1-3-7-18)30-38(36,37)21-12-10-20(11-13-21)32-17-19(26-31-32)14-15-33-27-22-8-4-5-9-23(22)28-33/h1-13,17,24,30,35H,14-16H2,(H,29,34)/t24-/m1/s1.
What are the key properties of (2R)-2-[[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide?
(2R)-2-[[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide has a molecular weight of 532.59 g/mol, XLogP of 1.65, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 177375295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).