3,5-dimethoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide

C22H23N3O4S — CID 18568063

IUPAC3,5-dimethoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(CC(=O)NCCc3ccccc3)cs2)c1
InChIInChI=1S/C22H23N3O4S/c1-28-18-10-16(11-19(13-18)29-2)21(27)25-22-24-17(14-30-22)12-20(26)23-9-8-15-6-4-3-5-7-15/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,23,26)(H,24,25,27)
InChIKeyHILWQOFIIYIPER-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.31
Rot. Bonds9

About 3,5-dimethoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide

3,5-dimethoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 18568063) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID18568063
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name3,5-dimethoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(CC(=O)NCCc3ccccc3)cs2)c1
InChIInChI=1S/C22H23N3O4S/c1-28-18-10-16(11-19(13-18)29-2)21(27)25-22-24-17(14-30-22)12-20(26)23-9-8-15-6-4-3-5-7-15/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,23,26)(H,24,25,27)
InChIKeyHILWQOFIIYIPER-UHFFFAOYSA-N
XLogP3.31
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide (CID 18568063) is 3,5-dimethoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide is COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)NCCc3ccccc3)cs2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is HILWQOFIIYIPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-28-18-10-16(11-19(13-18)29-2)21(27)25-22-24-17(14-30-22)12-20(26)23-9-8-15-6-4-3-5-7-15/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,23,26)(H,24,25,27).
What are the key properties of 3,5-dimethoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
3,5-dimethoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 425.51 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 18568063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).