N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide

C20H21FN2O2S — CID 94873327

IUPACN-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide
SMILESO=C(N[C@@H]1CCSc2c(F)cccc21)c1ccccc1N1CCOCC1
InChIInChI=1S/C20H21FN2O2S/c21-16-6-3-5-14-17(8-13-26-19(14)16)22-20(24)15-4-1-2-7-18(15)23-9-11-25-12-10-23/h1-7,17H,8-13H2,(H,22,24)/t17-/m1/s1
InChIKeyVOBGMRRKEYWWIG-QGZVFWFLSA-N
MW372.46 g/mol
LogP3.63
Rot. Bonds3

About N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide

N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide (PubChem CID 94873327) has the molecular formula C20H21FN2O2S and a molecular weight of 372.46 g/mol. Its IUPAC name is N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide
PubChem CID94873327
Molecular FormulaC20H21FN2O2S
Molecular Weight372.46 g/mol
Exact Mass372.13
IUPAC NameN-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide
SMILESO=C(N[C@@H]1CCSc2c(F)cccc21)c1ccccc1N1CCOCC1
InChIInChI=1S/C20H21FN2O2S/c21-16-6-3-5-14-17(8-13-26-19(14)16)22-20(24)15-4-1-2-7-18(15)23-9-11-25-12-10-23/h1-7,17H,8-13H2,(H,22,24)/t17-/m1/s1
InChIKeyVOBGMRRKEYWWIG-QGZVFWFLSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide (CID 94873327) is N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide is O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccccc1N1CCOCC1.
What is the InChIKey of N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide?
The InChIKey is VOBGMRRKEYWWIG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c21-16-6-3-5-14-17(8-13-26-19(14)16)22-20(24)15-4-1-2-7-18(15)23-9-11-25-12-10-23/h1-7,17H,8-13H2,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide?
N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide has a molecular weight of 372.46 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 94873327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).