N-hydroxy-2-methyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[(4-phenylphenyl)methoxy]propanediamide

C23H25N3O4S — CID 58354349

IUPACN-hydroxy-2-methyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[(4-phenylphenyl)methoxy]propanediamide
SMILESCc1ncsc1CCNC(=O)C(C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C23H25N3O4S/c1-16-20(31-15-25-16)12-13-24-21(27)23(2,22(28)26-29)30-14-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,15,29H,12-14H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyDVKASXCPGFIWHU-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.26
Rot. Bonds9

About N-hydroxy-2-methyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[(4-phenylphenyl)methoxy]propanediamide

N-hydroxy-2-methyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[(4-phenylphenyl)methoxy]propanediamide (PubChem CID 58354349) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-hydroxy-2-methyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[(4-phenylphenyl)methoxy]propanediamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[(4-phenylphenyl)methoxy]propanediamide
PubChem CID58354349
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-hydroxy-2-methyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[(4-phenylphenyl)methoxy]propanediamide
SMILESCc1ncsc1CCNC(=O)C(C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C23H25N3O4S/c1-16-20(31-15-25-16)12-13-24-21(27)23(2,22(28)26-29)30-14-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,15,29H,12-14H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyDVKASXCPGFIWHU-UHFFFAOYSA-N
XLogP3.26
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 N-hydroxy-2-methyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[(4-phenylphenyl)methoxy]propanediamide?
The IUPAC name of N-hydroxy-2-methyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[(4-phenylphenyl)methoxy]propanediamide (CID 58354349) is N-hydroxy-2-methyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[(4-phenylphenyl)methoxy]propanediamide.
What is the SMILES notation for N-hydroxy-2-methyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[(4-phenylphenyl)methoxy]propanediamide?
The canonical SMILES for N-hydroxy-2-methyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[(4-phenylphenyl)methoxy]propanediamide is Cc1ncsc1CCNC(=O)C(C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-methyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[(4-phenylphenyl)methoxy]propanediamide?
The InChIKey is DVKASXCPGFIWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-16-20(31-15-25-16)12-13-24-21(27)23(2,22(28)26-29)30-14-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,15,29H,12-14H2,1-2H3,(H,24,27)(H,26,28).
What are the key properties of N-hydroxy-2-methyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[(4-phenylphenyl)methoxy]propanediamide?
N-hydroxy-2-methyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[(4-phenylphenyl)methoxy]propanediamide has a molecular weight of 439.54 g/mol, XLogP of 3.26, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[(4-phenylphenyl)methoxy]propanediamide is sourced from PubChem (CID 58354349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).