N-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide

C26H29N3O5S — CID 134133460

IUPACN-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide
SMILESCC(C)[C@H](C(=O)NO)N(CCNC(=O)c1ccccc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H29N3O5S/c1-19(2)24(26(31)28-32)29(18-17-27-25(30)22-11-7-4-8-12-22)35(33,34)23-15-13-21(14-16-23)20-9-5-3-6-10-20/h3-16,19,24,32H,17-18H2,1-2H3,(H,27,30)(H,28,31)/t24-/m1/s1
InChIKeyQHCDOFQMQJCFGF-XMMPIXPASA-N
MW495.60 g/mol
LogP3.30
Rot. Bonds10

About N-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide

N-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide (PubChem CID 134133460) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide
PubChem CID134133460
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide
SMILESCC(C)[C@H](C(=O)NO)N(CCNC(=O)c1ccccc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H29N3O5S/c1-19(2)24(26(31)28-32)29(18-17-27-25(30)22-11-7-4-8-12-22)35(33,34)23-15-13-21(14-16-23)20-9-5-3-6-10-20/h3-16,19,24,32H,17-18H2,1-2H3,(H,27,30)(H,28,31)/t24-/m1/s1
InChIKeyQHCDOFQMQJCFGF-XMMPIXPASA-N
XLogP3.30
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of N-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide (CID 134133460) is N-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide is CC(C)[C@H](C(=O)NO)N(CCNC(=O)c1ccccc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is QHCDOFQMQJCFGF-XMMPIXPASA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-19(2)24(26(31)28-32)29(18-17-27-25(30)22-11-7-4-8-12-22)35(33,34)23-15-13-21(14-16-23)20-9-5-3-6-10-20/h3-16,19,24,32H,17-18H2,1-2H3,(H,27,30)(H,28,31)/t24-/m1/s1.
What are the key properties of N-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide?
N-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 495.60 g/mol, XLogP of 3.30, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 134133460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).