1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone

C28H25NOS — CID 7416702

IUPAC1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone
SMILESCc1ccc([C@@H]2c3ccsc3CCN2C(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25NOS/c1-20-12-14-23(15-13-20)27-24-17-19-31-25(24)16-18-29(27)28(30)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,17,19,26-27H,16,18H2,1H3/t27-/m1/s1
InChIKeyOFYWNHMVUIMNNS-HHHXNRCGSA-N
MW423.58 g/mol
LogP6.36
Rot. Bonds4

About 1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone

1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone (PubChem CID 7416702) has the molecular formula C28H25NOS and a molecular weight of 423.58 g/mol. Its IUPAC name is 1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone
PubChem CID7416702
Molecular FormulaC28H25NOS
Molecular Weight423.58 g/mol
Exact Mass423.17
IUPAC Name1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone
SMILESCc1ccc([C@@H]2c3ccsc3CCN2C(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25NOS/c1-20-12-14-23(15-13-20)27-24-17-19-31-25(24)16-18-29(27)28(30)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,17,19,26-27H,16,18H2,1H3/t27-/m1/s1
InChIKeyOFYWNHMVUIMNNS-HHHXNRCGSA-N
XLogP6.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.58
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-diphenylethanone
CID 92818850
1-[2-methyl-4-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]piperazin-1-yl]-2,2-diphenylethanone
CID 42876109
cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7349676
N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 4553826
(4-fluorophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7286434
(4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7364624
N-butyl-2-chloro-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide
CID 4308751
2-methyl-1-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 808511
tert-butyl-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium
CID 7347828
1-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]octan-1-one
CID 4317824
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylsulfanylethanone
CID 55429579
(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9451372

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone (CID 7416702) is 1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone is Cc1ccc([C@@H]2c3ccsc3CCN2C(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone?
The InChIKey is OFYWNHMVUIMNNS-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H25NOS/c1-20-12-14-23(15-13-20)27-24-17-19-31-25(24)16-18-29(27)28(30)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,17,19,26-27H,16,18H2,1H3/t27-/m1/s1.
What are the key properties of 1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone?
1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone has a molecular weight of 423.58 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-diphenylethanone is sourced from PubChem (CID 7416702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).