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

C21H18BrNOS — CID 7364624

IUPAC(4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCc1ccc([C@@H]2c3ccsc3CCN2C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H18BrNOS/c1-14-2-4-15(5-3-14)20-18-11-13-25-19(18)10-12-23(20)21(24)16-6-8-17(22)9-7-16/h2-9,11,13,20H,10,12H2,1H3/t20-/m1/s1
InChIKeyJDIFYFVKUJXLDG-HXUWFJFHSA-N
MW412.35 g/mol
LogP5.61
Rot. Bonds2

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

(4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 7364624) has the molecular formula C21H18BrNOS and a molecular weight of 412.35 g/mol. Its IUPAC name is (4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID7364624
Molecular FormulaC21H18BrNOS
Molecular Weight412.35 g/mol
Exact Mass411.03
IUPAC Name(4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCc1ccc([C@@H]2c3ccsc3CCN2C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H18BrNOS/c1-14-2-4-15(5-3-14)20-18-11-13-25-19(18)10-12-23(20)21(24)16-6-8-17(22)9-7-16/h2-9,11,13,20H,10,12H2,1H3/t20-/m1/s1
InChIKeyJDIFYFVKUJXLDG-HXUWFJFHSA-N
XLogP5.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.35
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7286434
(4-bromophenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 21264434
(4-bromophenyl)-[4-[4-(dimethylamino)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 59934278
(4-methoxyphenyl)-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 5253149
(4-methylphenyl)-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074460
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806
4-bromo-N-butan-2-yl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 3250213
[4-(trifluoromethyl)phenyl]-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 2739402
cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7349676
1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone
CID 21264414
(4-tert-butylphenyl)-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 3877714
[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(hydroxymethyl)phenyl]methanone
CID 101064481

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The IUPAC name of (4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 7364624) is (4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is Cc1ccc([C@@H]2c3ccsc3CCN2C(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of (4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is JDIFYFVKUJXLDG-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18BrNOS/c1-14-2-4-15(5-3-14)20-18-11-13-25-19(18)10-12-23(20)21(24)16-6-8-17(22)9-7-16/h2-9,11,13,20H,10,12H2,1H3/t20-/m1/s1.
What are the key properties of (4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
(4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 412.35 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 7364624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).