2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide

C26H25FN2O4S — CID 1075643

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1SCc1ccc(F)cc1
InChIInChI=1S/C26H25FN2O4S/c27-20-7-5-19(6-8-20)18-34-24-4-2-1-3-23(24)26(31)28-21-9-11-22(12-10-21)33-17-25(30)29-13-15-32-16-14-29/h1-12H,13-18H2,(H,28,31)
InChIKeyTVZZEQZSHDREAP-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.61
Rot. Bonds8

About 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide

2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide (PubChem CID 1075643) has the molecular formula C26H25FN2O4S and a molecular weight of 480.56 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
PubChem CID1075643
Molecular FormulaC26H25FN2O4S
Molecular Weight480.56 g/mol
Exact Mass480.15
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1SCc1ccc(F)cc1
InChIInChI=1S/C26H25FN2O4S/c27-20-7-5-19(6-8-20)18-34-24-4-2-1-3-23(24)26(31)28-21-9-11-22(12-10-21)33-17-25(30)29-13-15-32-16-14-29/h1-12H,13-18H2,(H,28,31)
InChIKeyTVZZEQZSHDREAP-UHFFFAOYSA-N
XLogP4.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide (CID 1075643) is 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide is O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1SCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The InChIKey is TVZZEQZSHDREAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O4S/c27-20-7-5-19(6-8-20)18-34-24-4-2-1-3-23(24)26(31)28-21-9-11-22(12-10-21)33-17-25(30)29-13-15-32-16-14-29/h1-12H,13-18H2,(H,28,31).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide has a molecular weight of 480.56 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide is sourced from PubChem (CID 1075643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).