2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid

C15H17F2NO5S — CID 120551759

IUPAC2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)N1CCOC(c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C15H17F2NO5S/c16-15(17)23-11-3-1-2-10(6-11)12-7-18(4-5-22-12)13(19)8-24-9-14(20)21/h1-3,6,12,15H,4-5,7-9H2,(H,20,21)
InChIKeyUHXUTLJDVZQMCJ-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.01
Rot. Bonds7

About 2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid

2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid (PubChem CID 120551759) has the molecular formula C15H17F2NO5S and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid
PubChem CID120551759
Molecular FormulaC15H17F2NO5S
Molecular Weight361.37 g/mol
Exact Mass361.08
IUPAC Name2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)N1CCOC(c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C15H17F2NO5S/c16-15(17)23-11-3-1-2-10(6-11)12-7-18(4-5-22-12)13(19)8-24-9-14(20)21/h1-3,6,12,15H,4-5,7-9H2,(H,20,21)
InChIKeyUHXUTLJDVZQMCJ-UHFFFAOYSA-N
XLogP2.01
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 75391938
2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126769237
N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide
CID 75391109
1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone
CID 136545989
[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 75391940
3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid
CID 122029359
2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine
CID 156573181
N-(3-methylphenyl)-2-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]sulfanylacetamide
CID 134039965
(2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
CID 124883718
(2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine
CID 124571996
1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 136547163
2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine
CID 91650407

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid (CID 120551759) is 2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid is O=C(O)CSCC(=O)N1CCOC(c2cccc(OC(F)F)c2)C1.
What is the InChIKey of 2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is UHXUTLJDVZQMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO5S/c16-15(17)23-11-3-1-2-10(6-11)12-7-18(4-5-22-12)13(19)8-24-9-14(20)21/h1-3,6,12,15H,4-5,7-9H2,(H,20,21).
What are the key properties of 2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid?
2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 361.37 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 120551759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).