(2S)-2-[[4-(4-chlorophenoxy)-3-fluorophenyl]sulfonylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide

C23H27ClFN3O7S2 — CID 10153107

IUPAC(2S)-2-[[4-(4-chlorophenoxy)-3-fluorophenyl]sulfonylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide
SMILESCC(C)(SCC(=O)N1CCOCC1)[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1)C(=O)NO
InChIInChI=1S/C23H27ClFN3O7S2/c1-23(2,36-14-20(29)28-9-11-34-12-10-28)21(22(30)26-31)27-37(32,33)17-7-8-19(18(25)13-17)35-16-5-3-15(24)4-6-16/h3-8,13,21,27,31H,9-12,14H2,1-2H3,(H,26,30)/t21-/m0/s1
InChIKeyGJKYGECSUGEASJ-NRFANRHFSA-N
MW576.07 g/mol
LogP2.79
Rot. Bonds10

About (2S)-2-[[4-(4-chlorophenoxy)-3-fluorophenyl]sulfonylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide

(2S)-2-[[4-(4-chlorophenoxy)-3-fluorophenyl]sulfonylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide (PubChem CID 10153107) has the molecular formula C23H27ClFN3O7S2 and a molecular weight of 576.07 g/mol. Its IUPAC name is (2S)-2-[[4-(4-chlorophenoxy)-3-fluorophenyl]sulfonylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[4-(4-chlorophenoxy)-3-fluorophenyl]sulfonylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide
PubChem CID10153107
Molecular FormulaC23H27ClFN3O7S2
Molecular Weight576.07 g/mol
Exact Mass575.10
IUPAC Name(2S)-2-[[4-(4-chlorophenoxy)-3-fluorophenyl]sulfonylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide
SMILESCC(C)(SCC(=O)N1CCOCC1)[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1)C(=O)NO
InChIInChI=1S/C23H27ClFN3O7S2/c1-23(2,36-14-20(29)28-9-11-34-12-10-28)21(22(30)26-31)27-37(32,33)17-7-8-19(18(25)13-17)35-16-5-3-15(24)4-6-16/h3-8,13,21,27,31H,9-12,14H2,1-2H3,(H,26,30)/t21-/m0/s1
InChIKeyGJKYGECSUGEASJ-NRFANRHFSA-N
XLogP2.79
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.07
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-[[4-(4-chlorophenoxy)-3-fluorophenyl]sulfonylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide 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-[[4-(4-chlorophenoxy)-3-fluorophenyl]sulfonylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide?
The IUPAC name of (2S)-2-[[4-(4-chlorophenoxy)-3-fluorophenyl]sulfonylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide (CID 10153107) is (2S)-2-[[4-(4-chlorophenoxy)-3-fluorophenyl]sulfonylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide.
What is the SMILES notation for (2S)-2-[[4-(4-chlorophenoxy)-3-fluorophenyl]sulfonylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide?
The canonical SMILES for (2S)-2-[[4-(4-chlorophenoxy)-3-fluorophenyl]sulfonylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide is CC(C)(SCC(=O)N1CCOCC1)[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1)C(=O)NO.
What is the InChIKey of (2S)-2-[[4-(4-chlorophenoxy)-3-fluorophenyl]sulfonylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide?
The InChIKey is GJKYGECSUGEASJ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27ClFN3O7S2/c1-23(2,36-14-20(29)28-9-11-34-12-10-28)21(22(30)26-31)27-37(32,33)17-7-8-19(18(25)13-17)35-16-5-3-15(24)4-6-16/h3-8,13,21,27,31H,9-12,14H2,1-2H3,(H,26,30)/t21-/m0/s1.
What are the key properties of (2S)-2-[[4-(4-chlorophenoxy)-3-fluorophenyl]sulfonylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide?
(2S)-2-[[4-(4-chlorophenoxy)-3-fluorophenyl]sulfonylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide has a molecular weight of 576.07 g/mol, XLogP of 2.79, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(4-chlorophenoxy)-3-fluorophenyl]sulfonylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide is sourced from PubChem (CID 10153107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).