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

C24H25FN2O3S2 — CID 46438809

IUPACN,N-diethyl-4-fluoro-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCc3sccc3C2c2ccccc2)c1
InChIInChI=1S/C24H25FN2O3S2/c1-3-26(4-2)32(29,30)18-10-11-21(25)20(16-18)24(28)27-14-12-22-19(13-15-31-22)23(27)17-8-6-5-7-9-17/h5-11,13,15-16,23H,3-4,12,14H2,1-2H3
InChIKeyYMECZKVIXZTPPN-UHFFFAOYSA-N
MW472.61 g/mol
LogP4.71
Rot. Bonds6

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

N,N-diethyl-4-fluoro-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide (PubChem CID 46438809) has the molecular formula C24H25FN2O3S2 and a molecular weight of 472.61 g/mol. Its IUPAC name is N,N-diethyl-4-fluoro-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-fluoro-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide
PubChem CID46438809
Molecular FormulaC24H25FN2O3S2
Molecular Weight472.61 g/mol
Exact Mass472.13
IUPAC NameN,N-diethyl-4-fluoro-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCc3sccc3C2c2ccccc2)c1
InChIInChI=1S/C24H25FN2O3S2/c1-3-26(4-2)32(29,30)18-10-11-21(25)20(16-18)24(28)27-14-12-22-19(13-15-31-22)23(27)17-8-6-5-7-9-17/h5-11,13,15-16,23H,3-4,12,14H2,1-2H3
InChIKeyYMECZKVIXZTPPN-UHFFFAOYSA-N
XLogP4.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-methyl-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide
CID 55540941
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55429780
(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
N-ethyl-4-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
CID 33166182
N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-sulfonamide
CID 5037183
3-(4-benzylpiperazine-1-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide
CID 26535171
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
CID 51239407
(2-chloro-5-nitrophenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55429519
N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]methanesulfonamide
CID 7396559
(2-chloro-4-nitrophenyl)-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9245809
N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide
CID 3924106

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-fluoro-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-fluoro-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide (CID 46438809) is N,N-diethyl-4-fluoro-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-fluoro-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-fluoro-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCc3sccc3C2c2ccccc2)c1.
What is the InChIKey of N,N-diethyl-4-fluoro-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide?
The InChIKey is YMECZKVIXZTPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3S2/c1-3-26(4-2)32(29,30)18-10-11-21(25)20(16-18)24(28)27-14-12-22-19(13-15-31-22)23(27)17-8-6-5-7-9-17/h5-11,13,15-16,23H,3-4,12,14H2,1-2H3.
What are the key properties of N,N-diethyl-4-fluoro-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide?
N,N-diethyl-4-fluoro-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide has a molecular weight of 472.61 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-fluoro-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide is sourced from PubChem (CID 46438809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).