2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide

C24H25F2NO5S — CID 55372221

IUPAC2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
SMILESCCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cccc(OC)c1OC(F)F
InChIInChI=1S/C24H25F2NO5S/c1-4-27(23(28)18-8-5-9-20(29-2)22(18)32-24(25)26)14-16-10-11-19(21(13-16)30-3)31-15-17-7-6-12-33-17/h5-13,24H,4,14-15H2,1-3H3
InChIKeyZEUCMNJJJQIVQC-UHFFFAOYSA-N
MW477.53 g/mol
LogP5.61
Rot. Bonds11

About 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide

2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 55372221) has the molecular formula C24H25F2NO5S and a molecular weight of 477.53 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
PubChem CID55372221
Molecular FormulaC24H25F2NO5S
Molecular Weight477.53 g/mol
Exact Mass477.14
IUPAC Name2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
SMILESCCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cccc(OC)c1OC(F)F
InChIInChI=1S/C24H25F2NO5S/c1-4-27(23(28)18-8-5-9-20(29-2)22(18)32-24(25)26)14-16-10-11-19(21(13-16)30-3)31-15-17-7-6-12-33-17/h5-13,24H,4,14-15H2,1-3H3
InChIKeyZEUCMNJJJQIVQC-UHFFFAOYSA-N
XLogP5.61
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide with MolForge

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Related Compounds

4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
N,N,N'-triethyl-N'-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanediamide
CID 56522009
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60543504
2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide
CID 119271670
N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide
CID 43055510
ethyl 6-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55630835
4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide
CID 17468464
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119690288
3-(2,5-dimethoxyphenyl)-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propanamide
CID 38021262
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 31339187
3-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propanamide
CID 55543953
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 31339075

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide (CID 55372221) is 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide is CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cccc(OC)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is ZEUCMNJJJQIVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2NO5S/c1-4-27(23(28)18-8-5-9-20(29-2)22(18)32-24(25)26)14-16-10-11-19(21(13-16)30-3)31-15-17-7-6-12-33-17/h5-13,24H,4,14-15H2,1-3H3.
What are the key properties of 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide?
2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide has a molecular weight of 477.53 g/mol, XLogP of 5.61, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55372221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).