(2S,3S)-2-[[2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-methylpropanoyl]amino]-N-hydroxy-3-methylpentanamide

C22H28ClN3O5S — CID 162673720

IUPAC(2S,3S)-2-[[2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-methylpropanoyl]amino]-N-hydroxy-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NC(=O)C(C)(C)NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)NO
InChIInChI=1S/C22H28ClN3O5S/c1-5-14(2)19(20(27)25-29)24-21(28)22(3,4)26-32(30,31)18-12-8-16(9-13-18)15-6-10-17(23)11-7-15/h6-14,19,26,29H,5H2,1-4H3,(H,24,28)(H,25,27)/t14-,19-/m0/s1
InChIKeyNVYOVRIROHPCAW-LIRRHRJNSA-N
MW482.00 g/mol
LogP3.10
Rot. Bonds9

About (2S,3S)-2-[[2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-methylpropanoyl]amino]-N-hydroxy-3-methylpentanamide

(2S,3S)-2-[[2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-methylpropanoyl]amino]-N-hydroxy-3-methylpentanamide (PubChem CID 162673720) has the molecular formula C22H28ClN3O5S and a molecular weight of 482.00 g/mol. Its IUPAC name is (2S,3S)-2-[[2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-methylpropanoyl]amino]-N-hydroxy-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-[[2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-methylpropanoyl]amino]-N-hydroxy-3-methylpentanamide
PubChem CID162673720
Molecular FormulaC22H28ClN3O5S
Molecular Weight482.00 g/mol
Exact Mass481.14
IUPAC Name(2S,3S)-2-[[2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-methylpropanoyl]amino]-N-hydroxy-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NC(=O)C(C)(C)NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)NO
InChIInChI=1S/C22H28ClN3O5S/c1-5-14(2)19(20(27)25-29)24-21(28)22(3,4)26-32(30,31)18-12-8-16(9-13-18)15-6-10-17(23)11-7-15/h6-14,19,26,29H,5H2,1-4H3,(H,24,28)(H,25,27)/t14-,19-/m0/s1
InChIKeyNVYOVRIROHPCAW-LIRRHRJNSA-N
XLogP3.10
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.00
LogP ≤ 53.10
H-Bond Donors ≤ 54
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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Related Compounds

(2S,3S)-2-[[3-(4-chlorophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylpentanamide
CID 122178462
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721
2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide
CID 72628786
4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 87610028
4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 841727
2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263423
3-[(4-chlorophenyl)sulfonylamino]-N-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 22004248
(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid
CID 51715390
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide
CID 110440463
4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 56504410
(2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 120666169

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[[2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-methylpropanoyl]amino]-N-hydroxy-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-[[2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-methylpropanoyl]amino]-N-hydroxy-3-methylpentanamide (CID 162673720) is (2S,3S)-2-[[2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-methylpropanoyl]amino]-N-hydroxy-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-[[2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-methylpropanoyl]amino]-N-hydroxy-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-[[2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-methylpropanoyl]amino]-N-hydroxy-3-methylpentanamide is CC[C@H](C)[C@H](NC(=O)C(C)(C)NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)NO.
What is the InChIKey of (2S,3S)-2-[[2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-methylpropanoyl]amino]-N-hydroxy-3-methylpentanamide?
The InChIKey is NVYOVRIROHPCAW-LIRRHRJNSA-N. The full InChI is InChI=1S/C22H28ClN3O5S/c1-5-14(2)19(20(27)25-29)24-21(28)22(3,4)26-32(30,31)18-12-8-16(9-13-18)15-6-10-17(23)11-7-15/h6-14,19,26,29H,5H2,1-4H3,(H,24,28)(H,25,27)/t14-,19-/m0/s1.
What are the key properties of (2S,3S)-2-[[2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-methylpropanoyl]amino]-N-hydroxy-3-methylpentanamide?
(2S,3S)-2-[[2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-methylpropanoyl]amino]-N-hydroxy-3-methylpentanamide has a molecular weight of 482.00 g/mol, XLogP of 3.10, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[[2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-methylpropanoyl]amino]-N-hydroxy-3-methylpentanamide is sourced from PubChem (CID 162673720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).