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

C21H17Cl2NOS — CID 7225441

IUPAC[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17Cl2NOS/c1-13-4-2-3-5-15(13)21(25)24-10-8-19-17(9-11-26-19)20(24)16-7-6-14(22)12-18(16)23/h2-7,9,11-12,20H,8,10H2,1H3/t20-/m0/s1
InChIKeyQWQIPCFBFHGEGS-FQEVSTJZSA-N
MW402.35 g/mol
LogP6.15
Rot. Bonds2

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

[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methylphenyl)methanone (PubChem CID 7225441) has the molecular formula C21H17Cl2NOS and a molecular weight of 402.35 g/mol. Its IUPAC name is [(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methylphenyl)methanone
PubChem CID7225441
Molecular FormulaC21H17Cl2NOS
Molecular Weight402.35 g/mol
Exact Mass401.04
IUPAC Name[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17Cl2NOS/c1-13-4-2-3-5-15(13)21(25)24-10-8-19-17(9-11-26-19)20(24)16-7-6-14(22)12-18(16)23/h2-7,9,11-12,20H,8,10H2,1H3/t20-/m0/s1
InChIKeyQWQIPCFBFHGEGS-FQEVSTJZSA-N
XLogP6.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.35
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 3880964
cyclopropyl-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7231439
N-butyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide
CID 4598511
2-methyl-1-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 808511
2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 98171730
(2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16576996
N-butan-2-yl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide
CID 4016817
N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
CID 3270817
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide
CID 3616641
(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9451372
ethyl 4-[butyl-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]amino]-4-oxobutanoate
CID 3612318
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide
CID 3252995

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methylphenyl)methanone?
The IUPAC name of [(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methylphenyl)methanone (CID 7225441) is [(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of [(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methylphenyl)methanone?
The InChIKey is QWQIPCFBFHGEGS-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H17Cl2NOS/c1-13-4-2-3-5-15(13)21(25)24-10-8-19-17(9-11-26-19)20(24)16-7-6-14(22)12-18(16)23/h2-7,9,11-12,20H,8,10H2,1H3/t20-/m0/s1.
What are the key properties of [(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methylphenyl)methanone?
[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methylphenyl)methanone has a molecular weight of 402.35 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 7225441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).