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

C22H22N2O4S3 — CID 41079148

IUPAC(3-morpholin-4-ylsulfonylphenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCc2sccc2[C@@H]1c1cccs1
InChIInChI=1S/C22H22N2O4S3/c25-22(16-3-1-4-17(15-16)31(26,27)23-9-11-28-12-10-23)24-8-6-19-18(7-14-30-19)21(24)20-5-2-13-29-20/h1-5,7,13-15,21H,6,8-12H2/t21-/m1/s1
InChIKeyUGSUOHCMZUPWAS-OAQYLSRUSA-N
MW474.63 g/mol
LogP3.62
Rot. Bonds4

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

(3-morpholin-4-ylsulfonylphenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 41079148) has the molecular formula C22H22N2O4S3 and a molecular weight of 474.63 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID41079148
Molecular FormulaC22H22N2O4S3
Molecular Weight474.63 g/mol
Exact Mass474.07
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCc2sccc2[C@@H]1c1cccs1
InChIInChI=1S/C22H22N2O4S3/c25-22(16-3-1-4-17(15-16)31(26,27)23-9-11-28-12-10-23)24-8-6-19-18(7-14-30-19)21(24)20-5-2-13-29-20/h1-5,7,13-15,21H,6,8-12H2/t21-/m1/s1
InChIKeyUGSUOHCMZUPWAS-OAQYLSRUSA-N
XLogP3.62
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 98294989
(3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 8916314
(3,4-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074636
(3,5-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075024
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55429780
N-[4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]benzenesulfonamide
CID 25335520
(4-methylphenyl)-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074460
(3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2542470
1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 55430116
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25445780
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-morpholin-4-ylmethanone
CID 46585758
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 41079148) is (3-morpholin-4-ylsulfonylphenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCc2sccc2[C@@H]1c1cccs1.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is UGSUOHCMZUPWAS-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22N2O4S3/c25-22(16-3-1-4-17(15-16)31(26,27)23-9-11-28-12-10-23)24-8-6-19-18(7-14-30-19)21(24)20-5-2-13-29-20/h1-5,7,13-15,21H,6,8-12H2/t21-/m1/s1.
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
(3-morpholin-4-ylsulfonylphenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 474.63 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylphenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 41079148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).