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

C20H23Cl2N3O5S — CID 155884494

IUPAC(2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)NO
InChIInChI=1S/C20H23Cl2N3O5S/c1-12(2)18(20(27)24-28)23-19(26)17(8-13-6-4-3-5-7-13)25-31(29,30)16-10-14(21)9-15(22)11-16/h3-7,9-12,17-18,25,28H,8H2,1-2H3,(H,23,26)(H,24,27)/t17-,18-/m0/s1
InChIKeyOEORWLJKQWVGLS-ROUUACIJSA-N
MW488.39 g/mol
LogP2.53
Rot. Bonds9

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

(2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylbutanamide (PubChem CID 155884494) has the molecular formula C20H23Cl2N3O5S and a molecular weight of 488.39 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylbutanamide
PubChem CID155884494
Molecular FormulaC20H23Cl2N3O5S
Molecular Weight488.39 g/mol
Exact Mass487.07
IUPAC Name(2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)NO
InChIInChI=1S/C20H23Cl2N3O5S/c1-12(2)18(20(27)24-28)23-19(26)17(8-13-6-4-3-5-7-13)25-31(29,30)16-10-14(21)9-15(22)11-16/h3-7,9-12,17-18,25,28H,8H2,1-2H3,(H,23,26)(H,24,27)/t17-,18-/m0/s1
InChIKeyOEORWLJKQWVGLS-ROUUACIJSA-N
XLogP2.53
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.39
LogP ≤ 52.53
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'}

Analyze (2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylbutanamide (CID 155884494) is (2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylbutanamide is CC(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)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylbutanamide?
The InChIKey is OEORWLJKQWVGLS-ROUUACIJSA-N. The full InChI is InChI=1S/C20H23Cl2N3O5S/c1-12(2)18(20(27)24-28)23-19(26)17(8-13-6-4-3-5-7-13)25-31(29,30)16-10-14(21)9-15(22)11-16/h3-7,9-12,17-18,25,28H,8H2,1-2H3,(H,23,26)(H,24,27)/t17-,18-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylbutanamide?
(2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylbutanamide has a molecular weight of 488.39 g/mol, XLogP of 2.53, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 155884494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).