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

C20H16FNOS — CID 9451372

IUPAC(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESO=C(c1ccccc1F)N1CCc2sccc2[C@@H]1c1ccccc1
InChIInChI=1S/C20H16FNOS/c21-17-9-5-4-8-15(17)20(23)22-12-10-18-16(11-13-24-18)19(22)14-6-2-1-3-7-14/h1-9,11,13,19H,10,12H2/t19-/m0/s1
InChIKeyQRVGMQMCQDCBBP-IBGZPJMESA-N
MW337.42 g/mol
LogP4.68
Rot. Bonds2

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

(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 9451372) has the molecular formula C20H16FNOS and a molecular weight of 337.42 g/mol. Its IUPAC name is (2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID9451372
Molecular FormulaC20H16FNOS
Molecular Weight337.42 g/mol
Exact Mass337.09
IUPAC Name(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESO=C(c1ccccc1F)N1CCc2sccc2[C@@H]1c1ccccc1
InChIInChI=1S/C20H16FNOS/c21-17-9-5-4-8-15(17)20(23)22-12-10-18-16(11-13-24-18)19(22)14-6-2-1-3-7-14/h1-9,11,13,19H,10,12H2/t19-/m0/s1
InChIKeyQRVGMQMCQDCBBP-IBGZPJMESA-N
XLogP4.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 41130082
4-fluoro-N-methyl-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide
CID 55540941
(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
CID 60676493
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
CID 51239407
N,N-diethyl-4-fluoro-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzenesulfonamide
CID 46438809
furan-2-yl-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 26004409
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55429780
(4-bromophenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 21264434
1-methyl-5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridin-2-one
CID 138556110
(4R)-N-(4-fluorophenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51925621
(2-chloro-5-nitrophenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55429519
(5,6-dichloro-3-pyridinyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9245818

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 9451372) is (2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is O=C(c1ccccc1F)N1CCc2sccc2[C@@H]1c1ccccc1.
What is the InChIKey of (2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is QRVGMQMCQDCBBP-IBGZPJMESA-N. The full InChI is InChI=1S/C20H16FNOS/c21-17-9-5-4-8-15(17)20(23)22-12-10-18-16(11-13-24-18)19(22)14-6-2-1-3-7-14/h1-9,11,13,19H,10,12H2/t19-/m0/s1.
What are the key properties of (2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 337.42 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 9451372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).