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

C22H23N3O2S — CID 7287568

IUPACN'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NCCc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C22H23N3O2S/c1-3-16-6-4-5-7-19(16)25-21(27)20(26)23-13-12-18-14-28-22(24-18)17-10-8-15(2)9-11-17/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyAFXBVZGOJRDZMI-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.98
Rot. Bonds6

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

N'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide (PubChem CID 7287568) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
PubChem CID7287568
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NCCc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C22H23N3O2S/c1-3-16-6-4-5-7-19(16)25-21(27)20(26)23-13-12-18-14-28-22(24-18)17-10-8-15(2)9-11-17/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyAFXBVZGOJRDZMI-UHFFFAOYSA-N
XLogP3.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287534
1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 47093348
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-methylphenyl)oxamide
CID 7216639
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide
CID 7522158
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 20965754
1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317361
N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7522151
4-(dimethylamino)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 47093407
N'-(5-chloro-2-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]oxamide
CID 26843117
trans-(1R,2R)-2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97323969
(2R)-2-(4-ethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35342111

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The IUPAC name of N'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide (CID 7287568) is N'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The canonical SMILES for N'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide is CCc1ccccc1NC(=O)C(=O)NCCc1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of N'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
The InChIKey is AFXBVZGOJRDZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-3-16-6-4-5-7-19(16)25-21(27)20(26)23-13-12-18-14-28-22(24-18)17-10-8-15(2)9-11-17/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of N'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide?
N'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide has a molecular weight of 393.51 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide is sourced from PubChem (CID 7287568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).