(2R)-N-hydroxy-3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanamide

C24H33N3O5S2 — CID 15463780

IUPAC(2R)-N-hydroxy-3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanamide
SMILESCc1cccc(Sc2ccc(S(=O)(=O)N(CCN3CCOCC3)[C@@H](C(=O)NO)C(C)C)cc2)c1
InChIInChI=1S/C24H33N3O5S2/c1-18(2)23(24(28)25-29)27(12-11-26-13-15-32-16-14-26)34(30,31)22-9-7-20(8-10-22)33-21-6-4-5-19(3)17-21/h4-10,17-18,23,29H,11-16H2,1-3H3,(H,25,28)/t23-/m1/s1
InChIKeyBIDUBXRSCYSRJF-HSZRJFAPSA-N
MW507.68 g/mol
LogP3.00
Rot. Bonds10

About (2R)-N-hydroxy-3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanamide

(2R)-N-hydroxy-3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanamide (PubChem CID 15463780) has the molecular formula C24H33N3O5S2 and a molecular weight of 507.68 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanamide
PubChem CID15463780
Molecular FormulaC24H33N3O5S2
Molecular Weight507.68 g/mol
Exact Mass507.19
IUPAC Name(2R)-N-hydroxy-3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanamide
SMILESCc1cccc(Sc2ccc(S(=O)(=O)N(CCN3CCOCC3)[C@@H](C(=O)NO)C(C)C)cc2)c1
InChIInChI=1S/C24H33N3O5S2/c1-18(2)23(24(28)25-29)27(12-11-26-13-15-32-16-14-26)34(30,31)22-9-7-20(8-10-22)33-21-6-4-5-19(3)17-21/h4-10,17-18,23,29H,11-16H2,1-3H3,(H,25,28)/t23-/m1/s1
InChIKeyBIDUBXRSCYSRJF-HSZRJFAPSA-N
XLogP3.00
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.68
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 (2R)-N-hydroxy-3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanamide?
The IUPAC name of (2R)-N-hydroxy-3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanamide (CID 15463780) is (2R)-N-hydroxy-3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanamide is Cc1cccc(Sc2ccc(S(=O)(=O)N(CCN3CCOCC3)[C@@H](C(=O)NO)C(C)C)cc2)c1.
What is the InChIKey of (2R)-N-hydroxy-3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanamide?
The InChIKey is BIDUBXRSCYSRJF-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H33N3O5S2/c1-18(2)23(24(28)25-29)27(12-11-26-13-15-32-16-14-26)34(30,31)22-9-7-20(8-10-22)33-21-6-4-5-19(3)17-21/h4-10,17-18,23,29H,11-16H2,1-3H3,(H,25,28)/t23-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanamide?
(2R)-N-hydroxy-3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanamide has a molecular weight of 507.68 g/mol, XLogP of 3.00, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-methyl-2-[[4-(3-methylphenyl)sulfanylphenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]butanamide is sourced from PubChem (CID 15463780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).