2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide

C16H20F2N2O2S — CID 94667443

IUPAC2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
SMILESO=C(NC[C@@]1(N2CCOCC2)CCSC1)c1c(F)cccc1F
InChIInChI=1S/C16H20F2N2O2S/c17-12-2-1-3-13(18)14(12)15(21)19-10-16(4-9-23-11-16)20-5-7-22-8-6-20/h1-3H,4-11H2,(H,19,21)/t16-/m0/s1
InChIKeyFWGRUYGTLDINKX-INIZCTEOSA-N
MW342.41 g/mol
LogP1.90
Rot. Bonds4

About 2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide

2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide (PubChem CID 94667443) has the molecular formula C16H20F2N2O2S and a molecular weight of 342.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
PubChem CID94667443
Molecular FormulaC16H20F2N2O2S
Molecular Weight342.41 g/mol
Exact Mass342.12
IUPAC Name2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
SMILESO=C(NC[C@@]1(N2CCOCC2)CCSC1)c1c(F)cccc1F
InChIInChI=1S/C16H20F2N2O2S/c17-12-2-1-3-13(18)14(12)15(21)19-10-16(4-9-23-11-16)20-5-7-22-8-6-20/h1-3H,4-11H2,(H,19,21)/t16-/m0/s1
InChIKeyFWGRUYGTLDINKX-INIZCTEOSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide
CID 139028683
2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 39156035
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide
CID 47887090
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658360
1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696476
5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide
CID 39155566
2,6-difluoro-N-[(3-hydroxythiolan-3-yl)methyl]benzamide
CID 111597077
2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 55658501
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-nitrothiophene-2-carboxamide
CID 55658583
2-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-nitrobenzamide
CID 55658287
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 51125025

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide (CID 94667443) is 2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide is O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide?
The InChIKey is FWGRUYGTLDINKX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20F2N2O2S/c17-12-2-1-3-13(18)14(12)15(21)19-10-16(4-9-23-11-16)20-5-7-22-8-6-20/h1-3H,4-11H2,(H,19,21)/t16-/m0/s1.
What are the key properties of 2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide?
2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide has a molecular weight of 342.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide is sourced from PubChem (CID 94667443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).