[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone

C21H20N2O4S2 — CID 69026448

IUPAC[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone
SMILESCS(=O)(=O)c1ccc(-c2cc(C(=O)c3cccnc3)sc2N2CCOCC2)cc1
InChIInChI=1S/C21H20N2O4S2/c1-29(25,26)17-6-4-15(5-7-17)18-13-19(20(24)16-3-2-8-22-14-16)28-21(18)23-9-11-27-12-10-23/h2-8,13-14H,9-12H2,1H3
InChIKeyTWPZHLXWXVVAPT-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.28
Rot. Bonds5

About [4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone

[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone (PubChem CID 69026448) has the molecular formula C21H20N2O4S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is [4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone
PubChem CID69026448
Molecular FormulaC21H20N2O4S2
Molecular Weight428.54 g/mol
Exact Mass428.09
IUPAC Name[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone
SMILESCS(=O)(=O)c1ccc(-c2cc(C(=O)c3cccnc3)sc2N2CCOCC2)cc1
InChIInChI=1S/C21H20N2O4S2/c1-29(25,26)17-6-4-15(5-7-17)18-13-19(20(24)16-3-2-8-22-14-16)28-21(18)23-9-11-27-12-10-23/h2-8,13-14H,9-12H2,1H3
InChIKeyTWPZHLXWXVVAPT-UHFFFAOYSA-N
XLogP3.28
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone
CID 56951813
(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone
CID 11842439
(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone
CID 1485941
(5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-nitrophenyl)methanone
CID 71518781
[(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone
CID 95856405
methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate
CID 110237373
N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide
CID 46953657
(4-methylsulfonyl-1,4-diazepan-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24667301
N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 35033029
N-methyl-5-morpholin-4-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-3-ylthiophene-2-carboxamide
CID 110237381
N-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 34335922
(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24538398

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone (CID 69026448) is [4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone is CS(=O)(=O)c1ccc(-c2cc(C(=O)c3cccnc3)sc2N2CCOCC2)cc1.
What is the InChIKey of [4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone?
The InChIKey is TWPZHLXWXVVAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S2/c1-29(25,26)17-6-4-15(5-7-17)18-13-19(20(24)16-3-2-8-22-14-16)28-21(18)23-9-11-27-12-10-23/h2-8,13-14H,9-12H2,1H3.
What are the key properties of [4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone?
[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone has a molecular weight of 428.54 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 69026448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).