(2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide

C27H31N3O6S — CID 25102051

IUPAC(2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide
SMILESCC(C)ON([C@H](CCNC(=O)Cc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H31N3O6S/c1-20(2)36-30(37(34,35)24-15-13-23(14-16-24)22-11-7-4-8-12-22)25(27(32)29-33)17-18-28-26(31)19-21-9-5-3-6-10-21/h3-16,20,25,33H,17-19H2,1-2H3,(H,28,31)(H,29,32)/t25-/m1/s1
InChIKeyNJZUERVIVLYZMO-RUZDIDTESA-N
MW525.63 g/mol
LogP3.31
Rot. Bonds12

About (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide

(2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide (PubChem CID 25102051) has the molecular formula C27H31N3O6S and a molecular weight of 525.63 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide
PubChem CID25102051
Molecular FormulaC27H31N3O6S
Molecular Weight525.63 g/mol
Exact Mass525.19
IUPAC Name(2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide
SMILESCC(C)ON([C@H](CCNC(=O)Cc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H31N3O6S/c1-20(2)36-30(37(34,35)24-15-13-23(14-16-24)22-11-7-4-8-12-22)25(27(32)29-33)17-18-28-26(31)19-21-9-5-3-6-10-21/h3-16,20,25,33H,17-19H2,1-2H3,(H,28,31)(H,29,32)/t25-/m1/s1
InChIKeyNJZUERVIVLYZMO-RUZDIDTESA-N
XLogP3.31
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.63
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

(3s,5r)-N-(2,2-Diphenylethyl)-5-{[(4-Methylphenyl)sulfonyl]amino}piperidine-3-Carboxamide
CID 11993712
(2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide
CID 25102048
(2R)-4-acetamido-N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide
CID 25102050
(2R)-N-[(2S)-3-cyclohexyl-1-oxo-1-[[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]amino]propan-2-yl]-N'-hydroxy-2-[3-(4-methylphenyl)propyl]butanediamide
CID 44315084
(R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hydroxybutanamide
CID 45380190
N-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide
CID 134133460
2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 3437887
(2R)-((4-biphenylylsulfonyl)amino)-N-hydroxy-3-phenylpropionamide
CID 9822095
(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11761229
N-[(3R)-4-(hydroxyamino)-4-oxo-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl]benzamide
CID 25102047
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(1-oxo-3-phenylpropan-2-yl)pentanamide
CID 10432068
(2R)-N-[3,4-dioxo-1-phenyl-4-(2-phenylethylamino)butan-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 11849756

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide?
The IUPAC name of (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide (CID 25102051) is (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide is CC(C)ON([C@H](CCNC(=O)Cc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide?
The InChIKey is NJZUERVIVLYZMO-RUZDIDTESA-N. The full InChI is InChI=1S/C27H31N3O6S/c1-20(2)36-30(37(34,35)24-15-13-23(14-16-24)22-11-7-4-8-12-22)25(27(32)29-33)17-18-28-26(31)19-21-9-5-3-6-10-21/h3-16,20,25,33H,17-19H2,1-2H3,(H,28,31)(H,29,32)/t25-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide?
(2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide has a molecular weight of 525.63 g/mol, XLogP of 3.31, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide is sourced from PubChem (CID 25102051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).