4-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide

C29H32F3N5O5S — CID 5070295

IUPAC4-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
SMILESCOCCN(CC(=O)Nc1nc(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C29H32F3N5O5S/c1-41-15-14-37(27(40)20-6-8-24(42-2)9-7-20)18-25(38)34-28-33-22(19-43-28)17-26(39)36-12-10-35(11-13-36)23-5-3-4-21(16-23)29(30,31)32/h3-9,16,19H,10-15,17-18H2,1-2H3,(H,33,34,38)
InChIKeyWZBCBNFBFKPOJE-UHFFFAOYSA-N
MW619.67 g/mol
LogP3.79
Rot. Bonds11

About 4-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide

4-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide (PubChem CID 5070295) has the molecular formula C29H32F3N5O5S and a molecular weight of 619.67 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
PubChem CID5070295
Molecular FormulaC29H32F3N5O5S
Molecular Weight619.67 g/mol
Exact Mass619.21
IUPAC Name4-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
SMILESCOCCN(CC(=O)Nc1nc(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C29H32F3N5O5S/c1-41-15-14-37(27(40)20-6-8-24(42-2)9-7-20)18-25(38)34-28-33-22(19-43-28)17-26(39)36-12-10-35(11-13-36)23-5-3-4-21(16-23)29(30,31)32/h3-9,16,19H,10-15,17-18H2,1-2H3,(H,33,34,38)
InChIKeyWZBCBNFBFKPOJE-UHFFFAOYSA-N
XLogP3.79
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.67
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide (CID 5070295) is 4-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide is COCCN(CC(=O)Nc1nc(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?
The InChIKey is WZBCBNFBFKPOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N5O5S/c1-41-15-14-37(27(40)20-6-8-24(42-2)9-7-20)18-25(38)34-28-33-22(19-43-28)17-26(39)36-12-10-35(11-13-36)23-5-3-4-21(16-23)29(30,31)32/h3-9,16,19H,10-15,17-18H2,1-2H3,(H,33,34,38).
What are the key properties of 4-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?
4-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide has a molecular weight of 619.67 g/mol, XLogP of 3.79, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 5070295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).