2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide

C17H23FN2O2S — CID 139028683

IUPAC2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide
SMILESO=C(NCC1(N2CCOCC2)CCSCC1)c1ccccc1F
InChIInChI=1S/C17H23FN2O2S/c18-15-4-2-1-3-14(15)16(21)19-13-17(5-11-23-12-6-17)20-7-9-22-10-8-20/h1-4H,5-13H2,(H,19,21)
InChIKeyZBUGCPZPYZIEBQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.15
Rot. Bonds4

About 2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide

2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide (PubChem CID 139028683) has the molecular formula C17H23FN2O2S and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide
PubChem CID139028683
Molecular FormulaC17H23FN2O2S
Molecular Weight338.45 g/mol
Exact Mass338.15
IUPAC Name2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide
SMILESO=C(NCC1(N2CCOCC2)CCSCC1)c1ccccc1F
InChIInChI=1S/C17H23FN2O2S/c18-15-4-2-1-3-14(15)16(21)19-13-17(5-11-23-12-6-17)20-7-9-22-10-8-20/h1-4H,5-13H2,(H,19,21)
InChIKeyZBUGCPZPYZIEBQ-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 94667443
2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 39156035
5-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722
2-(4-fluorobenzoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 39430130
N'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139027820
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658360
3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737
2,5-dichloro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139027826
3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505015
1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide
CID 47887090

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide (CID 139028683) is 2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide is O=C(NCC1(N2CCOCC2)CCSCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide?
The InChIKey is ZBUGCPZPYZIEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2S/c18-15-4-2-1-3-14(15)16(21)19-13-17(5-11-23-12-6-17)20-7-9-22-10-8-20/h1-4H,5-13H2,(H,19,21).
What are the key properties of 2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide?
2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide is sourced from PubChem (CID 139028683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).