(2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide

C20H20F2N2O2S — CID 97079092

IUPAC(2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide
SMILESO=C(N[C@@H]1CCSc2c(F)cccc21)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C20H20F2N2O2S/c21-14-6-4-13(5-7-14)18-12-24(9-10-26-18)20(25)23-17-8-11-27-19-15(17)2-1-3-16(19)22/h1-7,17-18H,8-12H2,(H,23,25)/t17-,18+/m1/s1
InChIKeyPBPBFGXEAKWNNP-MSOLQXFVSA-N
MW390.46 g/mol
LogP4.28
Rot. Bonds2

About (2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide

(2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide (PubChem CID 97079092) has the molecular formula C20H20F2N2O2S and a molecular weight of 390.46 g/mol. Its IUPAC name is (2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide
PubChem CID97079092
Molecular FormulaC20H20F2N2O2S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name(2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide
SMILESO=C(N[C@@H]1CCSc2c(F)cccc21)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C20H20F2N2O2S/c21-14-6-4-13(5-7-14)18-12-24(9-10-26-18)20(25)23-17-8-11-27-19-15(17)2-1-3-16(19)22/h1-7,17-18H,8-12H2,(H,23,25)/t17-,18+/m1/s1
InChIKeyPBPBFGXEAKWNNP-MSOLQXFVSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 71892979
4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17478139
4-N-benzyl-1-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-1,4-dicarboxamide
CID 78892471
(2R)-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]morpholine-4-carboxamide
CID 94030560
(2R)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 95759868
2-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 42921932
(2S)-2-(4-chlorophenyl)-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]morpholine-4-carboxamide
CID 94828080
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
1-(2,4-difluorophenyl)-3-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea
CID 27870358
4-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 25488924
(5S)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95058606
N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide
CID 94873327

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide (CID 97079092) is (2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide is O=C(N[C@@H]1CCSc2c(F)cccc21)N1CCO[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of (2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide?
The InChIKey is PBPBFGXEAKWNNP-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H20F2N2O2S/c21-14-6-4-13(5-7-14)18-12-24(9-10-26-18)20(25)23-17-8-11-27-19-15(17)2-1-3-16(19)22/h1-7,17-18H,8-12H2,(H,23,25)/t17-,18+/m1/s1.
What are the key properties of (2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide?
(2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 97079092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).