N-hydroxy-4-[(2R)-1-(4-methylphenyl)sulfonylpentan-2-yl]benzamide

C19H23NO4S — CID 58417597

IUPACN-hydroxy-4-[(2R)-1-(4-methylphenyl)sulfonylpentan-2-yl]benzamide
SMILESCCC[C@@H](CS(=O)(=O)c1ccc(C)cc1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C19H23NO4S/c1-3-4-17(15-7-9-16(10-8-15)19(21)20-22)13-25(23,24)18-11-5-14(2)6-12-18/h5-12,17,22H,3-4,13H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyIOAIITYHMMILIH-KRWDZBQOSA-N
MW361.46 g/mol
LogP3.47
Rot. Bonds7

About N-hydroxy-4-[(2R)-1-(4-methylphenyl)sulfonylpentan-2-yl]benzamide

N-hydroxy-4-[(2R)-1-(4-methylphenyl)sulfonylpentan-2-yl]benzamide (PubChem CID 58417597) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-hydroxy-4-[(2R)-1-(4-methylphenyl)sulfonylpentan-2-yl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(2R)-1-(4-methylphenyl)sulfonylpentan-2-yl]benzamide
PubChem CID58417597
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-hydroxy-4-[(2R)-1-(4-methylphenyl)sulfonylpentan-2-yl]benzamide
SMILESCCC[C@@H](CS(=O)(=O)c1ccc(C)cc1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C19H23NO4S/c1-3-4-17(15-7-9-16(10-8-15)19(21)20-22)13-25(23,24)18-11-5-14(2)6-12-18/h5-12,17,22H,3-4,13H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyIOAIITYHMMILIH-KRWDZBQOSA-N
XLogP3.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

ethyl 4-[1-(methanesulfonamido)-3-(4-methylphenyl)sulfonylpropan-2-yl]benzoate
CID 15423598
N-ethyl-4-[3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoyl]benzamide
CID 154953384
methyl 4-[1-(4-methylphenyl)pentan-2-yl]benzoate
CID 70909503
3-(4-methylphenyl)hexanoic acid
CID 23456891
N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide
CID 123214374
N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide
CID 24636412
N-[2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylpropyl]methanesulfonamide
CID 15423595
3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1-[4-(2-methylpropanoyl)phenyl]propan-1-one
CID 139307124
4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol
CID 64898401
4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide
CID 90417363
4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide
CID 78888892
N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide
CID 15423591

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(2R)-1-(4-methylphenyl)sulfonylpentan-2-yl]benzamide?
The IUPAC name of N-hydroxy-4-[(2R)-1-(4-methylphenyl)sulfonylpentan-2-yl]benzamide (CID 58417597) is N-hydroxy-4-[(2R)-1-(4-methylphenyl)sulfonylpentan-2-yl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(2R)-1-(4-methylphenyl)sulfonylpentan-2-yl]benzamide?
The canonical SMILES for N-hydroxy-4-[(2R)-1-(4-methylphenyl)sulfonylpentan-2-yl]benzamide is CCC[C@@H](CS(=O)(=O)c1ccc(C)cc1)c1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[(2R)-1-(4-methylphenyl)sulfonylpentan-2-yl]benzamide?
The InChIKey is IOAIITYHMMILIH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-3-4-17(15-7-9-16(10-8-15)19(21)20-22)13-25(23,24)18-11-5-14(2)6-12-18/h5-12,17,22H,3-4,13H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of N-hydroxy-4-[(2R)-1-(4-methylphenyl)sulfonylpentan-2-yl]benzamide?
N-hydroxy-4-[(2R)-1-(4-methylphenyl)sulfonylpentan-2-yl]benzamide has a molecular weight of 361.46 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(2R)-1-(4-methylphenyl)sulfonylpentan-2-yl]benzamide is sourced from PubChem (CID 58417597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).