2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide

C22H21FN2O4S2 — CID 25407635

IUPAC2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCc3sccc3[C@H]2C)ccc1F
InChIInChI=1S/C22H21FN2O4S2/c1-14-16-10-12-30-20(16)9-11-25(14)22(26)15-7-8-17(23)21(13-15)31(27,28)24-18-5-3-4-6-19(18)29-2/h3-8,10,12-14,24H,9,11H2,1-2H3/t14-/m1/s1
InChIKeyQJDNBHNWUBPOGZ-CQSZACIVSA-N
MW460.55 g/mol
LogP4.46
Rot. Bonds5

About 2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide

2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide (PubChem CID 25407635) has the molecular formula C22H21FN2O4S2 and a molecular weight of 460.55 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
PubChem CID25407635
Molecular FormulaC22H21FN2O4S2
Molecular Weight460.55 g/mol
Exact Mass460.09
IUPAC Name2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCc3sccc3[C@H]2C)ccc1F
InChIInChI=1S/C22H21FN2O4S2/c1-14-16-10-12-30-20(16)9-11-25(14)22(26)15-7-8-17(23)21(13-15)31(27,28)24-18-5-3-4-6-19(18)29-2/h3-8,10,12-14,24H,9,11H2,1-2H3/t14-/m1/s1
InChIKeyQJDNBHNWUBPOGZ-CQSZACIVSA-N
XLogP4.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
CID 8949909
(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
(4-ethoxy-3-methoxyphenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 8949543
N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55794078
N-cyclopentyl-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164199
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2336291
5-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 27331771
[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55428331
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 55567185
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806
N-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999892
methyl 5-(4-fluorobenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565283

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide (CID 25407635) is 2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCc3sccc3[C@H]2C)ccc1F.
What is the InChIKey of 2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide?
The InChIKey is QJDNBHNWUBPOGZ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H21FN2O4S2/c1-14-16-10-12-30-20(16)9-11-25(14)22(26)15-7-8-17(23)21(13-15)31(27,28)24-18-5-3-4-6-19(18)29-2/h3-8,10,12-14,24H,9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide?
2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide has a molecular weight of 460.55 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyphenyl)-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide is sourced from PubChem (CID 25407635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).