3,5-difluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

C17H18F2N2O2S — CID 4826016

IUPAC3,5-difluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H18F2N2O2S/c18-13-8-12(9-14(19)10-13)17(22)20-11-15(16-2-1-7-24-16)21-3-5-23-6-4-21/h1-2,7-10,15H,3-6,11H2,(H,20,22)
InChIKeyQOLNPELVWQWOHC-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.83
Rot. Bonds5

About 3,5-difluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

3,5-difluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 4826016) has the molecular formula C17H18F2N2O2S and a molecular weight of 352.41 g/mol. Its IUPAC name is 3,5-difluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID4826016
Molecular FormulaC17H18F2N2O2S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name3,5-difluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H18F2N2O2S/c18-13-8-12(9-14(19)10-13)17(22)20-11-15(16-2-1-7-24-16)21-3-5-23-6-4-21/h1-2,7-10,15H,3-6,11H2,(H,20,22)
InChIKeyQOLNPELVWQWOHC-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3,5-difluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (CID 4826016) is 3,5-difluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3,5-difluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is O=C(NCC(c1cccs1)N1CCOCC1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is QOLNPELVWQWOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2S/c18-13-8-12(9-14(19)10-13)17(22)20-11-15(16-2-1-7-24-16)21-3-5-23-6-4-21/h1-2,7-10,15H,3-6,11H2,(H,20,22).
What are the key properties of 3,5-difluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
3,5-difluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 352.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 4826016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).