(2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one

C18H19FN2O4S2 — CID 38974194

IUPAC(2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
SMILESC[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O4S2/c1-13(18(22)14-2-4-15(19)5-3-14)26-17-7-6-16(12-20-17)27(23,24)21-8-10-25-11-9-21/h2-7,12-13H,8-11H2,1H3/t13-/m0/s1
InChIKeyZXBVDBXCCMUUJK-ZDUSSCGKSA-N
MW410.49 g/mol
LogP2.61
Rot. Bonds6

About (2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one

(2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one (PubChem CID 38974194) has the molecular formula C18H19FN2O4S2 and a molecular weight of 410.49 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
PubChem CID38974194
Molecular FormulaC18H19FN2O4S2
Molecular Weight410.49 g/mol
Exact Mass410.08
IUPAC Name(2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
SMILESC[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O4S2/c1-13(18(22)14-2-4-15(19)5-3-14)26-17-7-6-16(12-20-17)27(23,24)21-8-10-25-11-9-21/h2-7,12-13H,8-11H2,1H3/t13-/m0/s1
InChIKeyZXBVDBXCCMUUJK-ZDUSSCGKSA-N
XLogP2.61
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one with MolForge

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Related Compounds

N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46617051
(2R)-1-(4-chlorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 38976733
1-(4-bromophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 46583557
ethyl (2S)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanoate
CID 52511353
(2S)-1-(1H-indol-3-yl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 41103443
(2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 40919685
N-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46629867
(2S)-1-(3-chlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 38969397
N-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46630280
(2S)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide
CID 41361926
4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine
CID 7774902
(2S)-N-propan-2-yl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 39965753

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one?
The IUPAC name of (2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one (CID 38974194) is (2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one?
The canonical SMILES for (2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one is C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one?
The InChIKey is ZXBVDBXCCMUUJK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19FN2O4S2/c1-13(18(22)14-2-4-15(19)5-3-14)26-17-7-6-16(12-20-17)27(23,24)21-8-10-25-11-9-21/h2-7,12-13H,8-11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one?
(2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one has a molecular weight of 410.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one is sourced from PubChem (CID 38974194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).