4-methoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide

C21H21N3O3S — CID 18567960

IUPAC4-methoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC(=O)NCCc3ccccc3)cs2)cc1
InChIInChI=1S/C21H21N3O3S/c1-27-18-9-7-16(8-10-18)20(26)24-21-23-17(14-28-21)13-19(25)22-12-11-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyYZLUXKSLEPHSOO-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.31
Rot. Bonds8

About 4-methoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide

4-methoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 18567960) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-methoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID18567960
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name4-methoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC(=O)NCCc3ccccc3)cs2)cc1
InChIInChI=1S/C21H21N3O3S/c1-27-18-9-7-16(8-10-18)20(26)24-21-23-17(14-28-21)13-19(25)22-12-11-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyYZLUXKSLEPHSOO-UHFFFAOYSA-N
XLogP3.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

T16AInh-A01
CID 135460621
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide (CID 18567960) is 4-methoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nc(CC(=O)NCCc3ccccc3)cs2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is YZLUXKSLEPHSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-27-18-9-7-16(8-10-18)20(26)24-21-23-17(14-28-21)13-19(25)22-12-11-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of 4-methoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
4-methoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 18567960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).