[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone

C18H20FNO3S — CID 45251938

IUPAC[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCOC(Cc3ccc(F)cc3)C2)s1
InChIInChI=1S/C18H20FNO3S/c1-22-12-16-6-7-17(24-16)18(21)20-8-9-23-15(11-20)10-13-2-4-14(19)5-3-13/h2-7,15H,8-12H2,1H3
InChIKeyJAUNRLCVRYCEGZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.12
Rot. Bonds5

About [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone

[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone (PubChem CID 45251938) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
PubChem CID45251938
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCOC(Cc3ccc(F)cc3)C2)s1
InChIInChI=1S/C18H20FNO3S/c1-22-12-16-6-7-17(24-16)18(21)20-8-9-23-15(11-20)10-13-2-4-14(19)5-3-13/h2-7,15H,8-12H2,1H3
InChIKeyJAUNRLCVRYCEGZ-UHFFFAOYSA-N
XLogP3.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
The IUPAC name of [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone (CID 45251938) is [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
The canonical SMILES for [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone is COCc1ccc(C(=O)N2CCOC(Cc3ccc(F)cc3)C2)s1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
The InChIKey is JAUNRLCVRYCEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-22-12-16-6-7-17(24-16)18(21)20-8-9-23-15(11-20)10-13-2-4-14(19)5-3-13/h2-7,15H,8-12H2,1H3.
What are the key properties of [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone is sourced from PubChem (CID 45251938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).