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

C20H23Cl2N3O5S — CID 162663522

IUPAC(2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxypentanamide
SMILESCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)NO
InChIInChI=1S/C20H23Cl2N3O5S/c1-2-6-17(20(27)24-28)23-19(26)18(9-13-7-4-3-5-8-13)25-31(29,30)16-11-14(21)10-15(22)12-16/h3-5,7-8,10-12,17-18,25,28H,2,6,9H2,1H3,(H,23,26)(H,24,27)/t17-,18-/m0/s1
InChIKeyUKYFDTFFFFNTMR-ROUUACIJSA-N
MW488.39 g/mol
LogP2.67
Rot. Bonds10

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

(2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxypentanamide (PubChem CID 162663522) 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-hydroxypentanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxypentanamide
PubChem CID162663522
Molecular FormulaC20H23Cl2N3O5S
Molecular Weight488.39 g/mol
Exact Mass487.07
IUPAC Name(2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxypentanamide
SMILESCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)NO
InChIInChI=1S/C20H23Cl2N3O5S/c1-2-6-17(20(27)24-28)23-19(26)18(9-13-7-4-3-5-8-13)25-31(29,30)16-11-14(21)10-15(22)12-16/h3-5,7-8,10-12,17-18,25,28H,2,6,9H2,1H3,(H,23,26)(H,24,27)/t17-,18-/m0/s1
InChIKeyUKYFDTFFFFNTMR-ROUUACIJSA-N
XLogP2.67
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.39
LogP ≤ 52.67
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

(S)-2-((S)-1-(3,5-dichlorophenylsulfonyl)pyrrolidine-2-carboxamido)-3-phenylpropanoic acid
CID 9847562
(S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrrolidine-2-carbonyl]-amino}-3-(4-fluoro-phenyl)-propionic acid
CID 9913409
(S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-methyl-pyrrolidine-2-carbonyl]-amino}-3-(4-fluoro-phenyl)-propionic acid
CID 10117970
(S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrrolidine-2-carbonyl]-amino}-3-(4-iodo-phenyl)-propionic acid
CID 20687518
(S)-3-(2-Chloro-phenyl)-2-{[(S)-1-(3,5-dichloro-benzenesulfonyl)-pyrrolidine-2-carbonyl]-amino}-propionic acid
CID 20793886
(S)-3-(4-Chloro-phenyl)-2-{[(S)-1-(3,5-dichloro-benzenesulfonyl)-pyrrolidine-2-carbonyl]-amino}-propionic acid
CID 20793891
N-[(3,5-dichlorophenyl)sulfonyl]-L-phenylalanyl-N-hydroxy-L-valinamide
CID 155884494
Bes(3,5-diCl)-Ile-Nva-NHOH
CID 155884495
(2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 10413082
(2R,3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 10602511
(2R)-2-[3-(4-chlorophenyl)propyl]-N-[(2S)-3-cyclohexyl-1-oxo-1-[[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]amino]propan-2-yl]-N'-hydroxybutanediamide
CID 44314789
(S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrrolidine-2-carbonyl]-amino}-3-(4-ethyl-phenyl)-propionic acid
CID 44372098

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxypentanamide?
The IUPAC name of (2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxypentanamide (CID 162663522) is (2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxypentanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxypentanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxypentanamide is CCC[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-hydroxypentanamide?
The InChIKey is UKYFDTFFFFNTMR-ROUUACIJSA-N. The full InChI is InChI=1S/C20H23Cl2N3O5S/c1-2-6-17(20(27)24-28)23-19(26)18(9-13-7-4-3-5-8-13)25-31(29,30)16-11-14(21)10-15(22)12-16/h3-5,7-8,10-12,17-18,25,28H,2,6,9H2,1H3,(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-hydroxypentanamide?
(2S)-2-[[(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]-N-hydroxypentanamide has a molecular weight of 488.39 g/mol, XLogP of 2.67, 10 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-hydroxypentanamide is sourced from PubChem (CID 162663522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).