(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C24H23FN2O4S2 — CID 55429780

IUPAC(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C24H23FN2O4S2/c25-21-7-6-18(33(29,30)26-11-13-31-14-12-26)16-20(21)24(28)27-10-8-22-19(9-15-32-22)23(27)17-4-2-1-3-5-17/h1-7,9,15-16,23H,8,10-14H2
InChIKeyWFLZAZYUFJLLGV-UHFFFAOYSA-N
MW486.59 g/mol
LogP3.70
Rot. Bonds4

About (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 55429780) has the molecular formula C24H23FN2O4S2 and a molecular weight of 486.59 g/mol. Its IUPAC name is (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID55429780
Molecular FormulaC24H23FN2O4S2
Molecular Weight486.59 g/mol
Exact Mass486.11
IUPAC Name(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C24H23FN2O4S2/c25-21-7-6-18(33(29,30)26-11-13-31-14-12-26)16-20(21)24(28)27-10-8-22-19(9-15-32-22)23(27)17-4-2-1-3-5-17/h1-7,9,15-16,23H,8,10-14H2
InChIKeyWFLZAZYUFJLLGV-UHFFFAOYSA-N
XLogP3.70
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

4-fluoro-N-methyl-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide
CID 55540941
N,N-diethyl-4-fluoro-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide
CID 46438809
(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9451372
(2,4-difluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 41130082
(3-morpholin-4-ylsulfonylphenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 41079148
oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 51073766
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone
CID 55612788
2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 2531136
furan-2-yl-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 26004409
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
(2-chloro-4-nitrophenyl)-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9245809
3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 2352857

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 55429780) is (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCc2sccc2C1c1ccccc1.
What is the InChIKey of (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is WFLZAZYUFJLLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4S2/c25-21-7-6-18(33(29,30)26-11-13-31-14-12-26)16-20(21)24(28)27-10-8-22-19(9-15-32-22)23(27)17-4-2-1-3-5-17/h1-7,9,15-16,23H,8,10-14H2.
What are the key properties of (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 486.59 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 55429780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).