(2S)-N-hydroxy-2-(3-methoxyanilino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide

C24H27N3O6S — CID 24952316

IUPAC(2S)-N-hydroxy-2-(3-methoxyanilino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
SMILESCOc1cccc(N[C@@H](CN(c2ccc(Oc3ccc(C)cc3)cc2)S(C)(=O)=O)C(=O)NO)c1
InChIInChI=1S/C24H27N3O6S/c1-17-7-11-20(12-8-17)33-21-13-9-19(10-14-21)27(34(3,30)31)16-23(24(28)26-29)25-18-5-4-6-22(15-18)32-2/h4-15,23,25,29H,16H2,1-3H3,(H,26,28)/t23-/m0/s1
InChIKeyMXIFPAKFUUYAMN-QHCPKHFHSA-N
MW485.56 g/mol
LogP3.55
Rot. Bonds10

About (2S)-N-hydroxy-2-(3-methoxyanilino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide

(2S)-N-hydroxy-2-(3-methoxyanilino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (PubChem CID 24952316) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-(3-methoxyanilino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-(3-methoxyanilino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
PubChem CID24952316
Molecular FormulaC24H27N3O6S
Molecular Weight485.56 g/mol
Exact Mass485.16
IUPAC Name(2S)-N-hydroxy-2-(3-methoxyanilino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
SMILESCOc1cccc(N[C@@H](CN(c2ccc(Oc3ccc(C)cc3)cc2)S(C)(=O)=O)C(=O)NO)c1
InChIInChI=1S/C24H27N3O6S/c1-17-7-11-20(12-8-17)33-21-13-9-19(10-14-21)27(34(3,30)31)16-23(24(28)26-29)25-18-5-4-6-22(15-18)32-2/h4-15,23,25,29H,16H2,1-3H3,(H,26,28)/t23-/m0/s1
InChIKeyMXIFPAKFUUYAMN-QHCPKHFHSA-N
XLogP3.55
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 53.55
H-Bond Donors ≤ 53
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 (2S)-N-hydroxy-2-(3-methoxyanilino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The IUPAC name of (2S)-N-hydroxy-2-(3-methoxyanilino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide (CID 24952316) is (2S)-N-hydroxy-2-(3-methoxyanilino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide.
What is the SMILES notation for (2S)-N-hydroxy-2-(3-methoxyanilino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The canonical SMILES for (2S)-N-hydroxy-2-(3-methoxyanilino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide is COc1cccc(N[C@@H](CN(c2ccc(Oc3ccc(C)cc3)cc2)S(C)(=O)=O)C(=O)NO)c1.
What is the InChIKey of (2S)-N-hydroxy-2-(3-methoxyanilino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
The InChIKey is MXIFPAKFUUYAMN-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27N3O6S/c1-17-7-11-20(12-8-17)33-21-13-9-19(10-14-21)27(34(3,30)31)16-23(24(28)26-29)25-18-5-4-6-22(15-18)32-2/h4-15,23,25,29H,16H2,1-3H3,(H,26,28)/t23-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-(3-methoxyanilino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide?
(2S)-N-hydroxy-2-(3-methoxyanilino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide has a molecular weight of 485.56 g/mol, XLogP of 3.55, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-(3-methoxyanilino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide is sourced from PubChem (CID 24952316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).