2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide

C17H18F2N2O2S — CID 16931663

IUPAC2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
SMILESO=C(NCC(c1ccsc1)N1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C17H18F2N2O2S/c18-13-2-1-3-14(19)16(13)17(22)20-10-15(12-4-9-24-11-12)21-5-7-23-8-6-21/h1-4,9,11,15H,5-8,10H2,(H,20,22)
InChIKeyUSXSQRDCMGNNTL-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.83
Rot. Bonds5

About 2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide

2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide (PubChem CID 16931663) has the molecular formula C17H18F2N2O2S and a molecular weight of 352.41 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
PubChem CID16931663
Molecular FormulaC17H18F2N2O2S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
SMILESO=C(NCC(c1ccsc1)N1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C17H18F2N2O2S/c18-13-2-1-3-14(19)16(13)17(22)20-10-15(12-4-9-24-11-12)21-5-7-23-8-6-21/h1-4,9,11,15H,5-8,10H2,(H,20,22)
InChIKeyUSXSQRDCMGNNTL-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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Related Compounds

N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 30605183
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 16931706
2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931649
2-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)acetamide
CID 16931692
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-4-phenylbenzamide
CID 30605147
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide
CID 7496717
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide
CID 16931688
2,3-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 29235413
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2,6-difluorobenzamide
CID 7285631
[2-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)carbamoyl]phenyl] acetate
CID 16931699
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)cyclopropanecarboxamide
CID 16931690
1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea
CID 30521535

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide (CID 16931663) is 2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide is O=C(NCC(c1ccsc1)N1CCOCC1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide?
The InChIKey is USXSQRDCMGNNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2S/c18-13-2-1-3-14(19)16(13)17(22)20-10-15(12-4-9-24-11-12)21-5-7-23-8-6-21/h1-4,9,11,15H,5-8,10H2,(H,20,22).
What are the key properties of 2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide?
2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-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 2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 16931663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).