(3S,6S)-N-(9H-fluoren-2-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide

C25H21FN2O2S — CID 39975905

IUPAC(3S,6S)-N-(9H-fluoren-2-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
SMILESO=C1N[C@@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CS[C@H]1Cc1ccccc1F
InChIInChI=1S/C25H21FN2O2S/c26-21-8-4-2-6-16(21)13-23-25(30)28-22(14-31-23)24(29)27-18-9-10-20-17(12-18)11-15-5-1-3-7-19(15)20/h1-10,12,22-23H,11,13-14H2,(H,27,29)(H,28,30)/t22-,23+/m1/s1
InChIKeyZDFLDSNWRILRES-PKTZIBPZSA-N
MW432.52 g/mol
LogP4.18
Rot. Bonds4

About (3S,6S)-N-(9H-fluoren-2-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide

(3S,6S)-N-(9H-fluoren-2-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide (PubChem CID 39975905) has the molecular formula C25H21FN2O2S and a molecular weight of 432.52 g/mol. Its IUPAC name is (3S,6S)-N-(9H-fluoren-2-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-N-(9H-fluoren-2-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
PubChem CID39975905
Molecular FormulaC25H21FN2O2S
Molecular Weight432.52 g/mol
Exact Mass432.13
IUPAC Name(3S,6S)-N-(9H-fluoren-2-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
SMILESO=C1N[C@@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CS[C@H]1Cc1ccccc1F
InChIInChI=1S/C25H21FN2O2S/c26-21-8-4-2-6-16(21)13-23-25(30)28-22(14-31-23)24(29)27-18-9-10-20-17(12-18)11-15-5-1-3-7-19(15)20/h1-10,12,22-23H,11,13-14H2,(H,27,29)(H,28,30)/t22-,23+/m1/s1
InChIKeyZDFLDSNWRILRES-PKTZIBPZSA-N
XLogP4.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 39975183
(3R,6R)-6-[(2-fluorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxothiomorpholine-3-carboxamide
CID 32608934
(3S,6R)-N-(1-ethylindazol-6-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 95140057
(3S,6R)-6-[(2-fluorophenyl)methyl]-5-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-3-carboxamide
CID 52533798
(3S,6R)-6-[(2-fluorophenyl)methyl]-N-methoxy-5-oxothiomorpholine-3-carboxamide
CID 94014377
(3S,6S)-6-[(2-fluorophenyl)methyl]-5-oxo-N-[3-(2-pyridin-2-ylethynyl)phenyl]thiomorpholine-3-carboxamide
CID 95568926
(3R,6S)-6-[(2-fluorophenyl)methyl]-5-oxo-N-quinolin-2-ylthiomorpholine-3-carboxamide
CID 94636001
(3R,6S)-6-[(2-fluorophenyl)methyl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiomorpholine-3-carboxamide
CID 52536128
(3R,6S)-6-[(2-fluorophenyl)methyl]-5-oxo-N-(2-thiophen-2-ylethyl)thiomorpholine-3-carboxamide
CID 39975151
6-[(2-fluorophenyl)methyl]-N-(1-hydroxypropan-2-yl)-5-oxothiomorpholine-3-carboxamide
CID 78856877
N-[(2S)-1-aminopropan-2-yl]-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 120505485
6-[(2-fluorophenyl)methyl]-5-oxo-N-phenylmethoxythiomorpholine-3-carboxamide
CID 42946181

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-N-(9H-fluoren-2-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of (3S,6S)-N-(9H-fluoren-2-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide (CID 39975905) is (3S,6S)-N-(9H-fluoren-2-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for (3S,6S)-N-(9H-fluoren-2-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for (3S,6S)-N-(9H-fluoren-2-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide is O=C1N[C@@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CS[C@H]1Cc1ccccc1F.
What is the InChIKey of (3S,6S)-N-(9H-fluoren-2-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide?
The InChIKey is ZDFLDSNWRILRES-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H21FN2O2S/c26-21-8-4-2-6-16(21)13-23-25(30)28-22(14-31-23)24(29)27-18-9-10-20-17(12-18)11-15-5-1-3-7-19(15)20/h1-10,12,22-23H,11,13-14H2,(H,27,29)(H,28,30)/t22-,23+/m1/s1.
What are the key properties of (3S,6S)-N-(9H-fluoren-2-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide?
(3S,6S)-N-(9H-fluoren-2-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-N-(9H-fluoren-2-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 39975905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).