(2S,3S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylpentanamide

C21H25Cl2N3O5S — CID 162669210

IUPAC(2S,3S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)NO
InChIInChI=1S/C21H25Cl2N3O5S/c1-3-13(2)19(21(28)25-29)24-20(27)18(9-14-7-5-4-6-8-14)26-32(30,31)17-11-15(22)10-16(23)12-17/h4-8,10-13,18-19,26,29H,3,9H2,1-2H3,(H,24,27)(H,25,28)/t13-,18-,19-/m0/s1
InChIKeyOPZCKMJBXAJNKN-AGRHKRQWSA-N
MW502.42 g/mol
LogP2.92
Rot. Bonds10

About (2S,3S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylpentanamide

(2S,3S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylpentanamide (PubChem CID 162669210) has the molecular formula C21H25Cl2N3O5S and a molecular weight of 502.42 g/mol. Its IUPAC name is (2S,3S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylpentanamide
PubChem CID162669210
Molecular FormulaC21H25Cl2N3O5S
Molecular Weight502.42 g/mol
Exact Mass501.09
IUPAC Name(2S,3S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylpentanamide
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)NO
InChIInChI=1S/C21H25Cl2N3O5S/c1-3-13(2)19(21(28)25-29)24-20(27)18(9-14-7-5-4-6-8-14)26-32(30,31)17-11-15(22)10-16(23)12-17/h4-8,10-13,18-19,26,29H,3,9H2,1-2H3,(H,24,27)(H,25,28)/t13-,18-,19-/m0/s1
InChIKeyOPZCKMJBXAJNKN-AGRHKRQWSA-N
XLogP2.92
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.42
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylpentanamide (CID 162669210) is (2S,3S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylpentanamide is CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)NO.
What is the InChIKey of (2S,3S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylpentanamide?
The InChIKey is OPZCKMJBXAJNKN-AGRHKRQWSA-N. The full InChI is InChI=1S/C21H25Cl2N3O5S/c1-3-13(2)19(21(28)25-29)24-20(27)18(9-14-7-5-4-6-8-14)26-32(30,31)17-11-15(22)10-16(23)12-17/h4-8,10-13,18-19,26,29H,3,9H2,1-2H3,(H,24,27)(H,25,28)/t13-,18-,19-/m0/s1.
What are the key properties of (2S,3S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylpentanamide?
(2S,3S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylpentanamide has a molecular weight of 502.42 g/mol, XLogP of 2.92, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylpentanamide is sourced from PubChem (CID 162669210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).