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

C20H15Cl2NOS — CID 2739301

IUPAC(4-chlorophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCc2sccc2C1c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2NOS/c21-15-5-1-13(2-6-15)19-17-10-12-25-18(17)9-11-23(19)20(24)14-3-7-16(22)8-4-14/h1-8,10,12,19H,9,11H2
InChIKeyMGKHTTSSBLEEAK-UHFFFAOYSA-N
MW388.32 g/mol
LogP5.84
Rot. Bonds2

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

(4-chlorophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 2739301) has the molecular formula C20H15Cl2NOS and a molecular weight of 388.32 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID2739301
Molecular FormulaC20H15Cl2NOS
Molecular Weight388.32 g/mol
Exact Mass387.03
IUPAC Name(4-chlorophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCc2sccc2C1c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2NOS/c21-15-5-1-13(2-6-15)19-17-10-12-25-18(17)9-11-23(19)20(24)14-3-7-16(22)8-4-14/h1-8,10,12,19H,9,11H2
InChIKeyMGKHTTSSBLEEAK-UHFFFAOYSA-N
XLogP5.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.32
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chlorophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

2-(3,4-dichlorophenyl)-1-[7-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 9822764
2-(3,4-dichlorophenyl)-1-[4-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 15697372
2-(3,4-dichlorophenyl)-1-[4-(piperidin-1-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 15697375
[4-(4-Chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl](cyclopropyl)methanone
CID 2739312
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961
Cyto3A6
CID 2806339
(3-Chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 4152572
N-[(4-chlorophenyl)methyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 16011673
7-chloro-N-[(4-methylphenyl)methyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 16012479
1-(5-{[3-(4-Chlorobenzoyl)-1-piperidinyl]carbonyl}-2-thienyl)ethanone
CID 24790127
N-((S)-1-(4-chlorobenzyl)pyrrolidin-3-yl)-3-(thiophen-2-yl)benzamide
CID 44405469

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 2739301) is (4-chlorophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCc2sccc2C1c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is MGKHTTSSBLEEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NOS/c21-15-5-1-13(2-6-15)19-17-10-12-25-18(17)9-11-23(19)20(24)14-3-7-16(22)8-4-14/h1-8,10,12,19H,9,11H2.
What are the key properties of (4-chlorophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
(4-chlorophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 388.32 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 2739301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).