N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide

C14H19FN2O2S — CID 82909471

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CSCCN2)cc1F
InChIInChI=1S/C14H19FN2O2S/c1-17(14(18)12-9-20-6-5-16-12)8-10-3-4-13(19-2)11(15)7-10/h3-4,7,12,16H,5-6,8-9H2,1-2H3
InChIKeyJEPXHDHPMWBZME-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.50
Rot. Bonds4

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide (PubChem CID 82909471) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide
PubChem CID82909471
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CSCCN2)cc1F
InChIInChI=1S/C14H19FN2O2S/c1-17(14(18)12-9-20-6-5-16-12)8-10-3-4-13(19-2)11(15)7-10/h3-4,7,12,16H,5-6,8-9H2,1-2H3
InChIKeyJEPXHDHPMWBZME-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 124513193
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82909397
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 61215363
N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82909229
N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82905900
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81125207
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60710815
N-[(5-bromothiophen-3-yl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82908410
(4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 124588399
(2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808185
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
(5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone
CID 116609664

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide (CID 82909471) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide is COc1ccc(CN(C)C(=O)C2CSCCN2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide?
The InChIKey is JEPXHDHPMWBZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c1-17(14(18)12-9-20-6-5-16-12)8-10-3-4-13(19-2)11(15)7-10/h3-4,7,12,16H,5-6,8-9H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide has a molecular weight of 298.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide is sourced from PubChem (CID 82909471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).