N'-(4-ethoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide

C22H23N3O3S — CID 7287566

IUPACN'-(4-ethoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C22H23N3O3S/c1-3-28-19-10-8-17(9-11-19)24-21(27)20(26)23-13-12-18-14-29-22(25-18)16-6-4-15(2)5-7-16/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyJUDYEUHFLJFZMI-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.81
Rot. Bonds7

About N'-(4-ethoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide

N'-(4-ethoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide (PubChem CID 7287566) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
PubChem CID7287566
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN'-(4-ethoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C22H23N3O3S/c1-3-28-19-10-8-17(9-11-19)24-21(27)20(26)23-13-12-18-14-29-22(25-18)16-6-4-15(2)5-7-16/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyJUDYEUHFLJFZMI-UHFFFAOYSA-N
XLogP3.81
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide (CID 7287566) is N'-(4-ethoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide is CCOc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The InChIKey is JUDYEUHFLJFZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-3-28-19-10-8-17(9-11-19)24-21(27)20(26)23-13-12-18-14-29-22(25-18)16-6-4-15(2)5-7-16/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N'-(4-ethoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
N'-(4-ethoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide has a molecular weight of 409.51 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide is sourced from PubChem (CID 7287566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).