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

C21H25NO2S — CID 101064485

IUPAC(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCc3sccc3C2C2CCCCC2)cc1
InChIInChI=1S/C21H25NO2S/c1-24-17-9-7-16(8-10-17)21(23)22-13-11-19-18(12-14-25-19)20(22)15-5-3-2-4-6-15/h7-10,12,14-15,20H,2-6,11,13H2,1H3
InChIKeyLAFIGJGCZGTSFQ-UHFFFAOYSA-N
MW355.50 g/mol
LogP5.08
Rot. Bonds3

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

(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methoxyphenyl)methanone (PubChem CID 101064485) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is (4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methoxyphenyl)methanone
PubChem CID101064485
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC Name(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCc3sccc3C2C2CCCCC2)cc1
InChIInChI=1S/C21H25NO2S/c1-24-17-9-7-16(8-10-17)21(23)22-13-11-19-18(12-14-25-19)20(22)15-5-3-2-4-6-15/h7-10,12,14-15,20H,2-6,11,13H2,1H3
InChIKeyLAFIGJGCZGTSFQ-UHFFFAOYSA-N
XLogP5.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.50
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

methyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565269
(4-methoxyphenyl)-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 5253149
(4-tert-butylphenyl)-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 3877714
[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 6976589
4-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzonitrile
CID 54043297
1-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 6925905
(3,5-dimethoxyphenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 17465789
(2-bromo-4-pyridinyl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 103754003
(2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 62788767
(3-methoxyphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156078
1-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,3-dione
CID 54876687
(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
CID 60676493

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methoxyphenyl)methanone (CID 101064485) is (4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCc3sccc3C2C2CCCCC2)cc1.
What is the InChIKey of (4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methoxyphenyl)methanone?
The InChIKey is LAFIGJGCZGTSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2S/c1-24-17-9-7-16(8-10-17)21(23)22-13-11-19-18(12-14-25-19)20(22)15-5-3-2-4-6-15/h7-10,12,14-15,20H,2-6,11,13H2,1H3.
What are the key properties of (4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methoxyphenyl)methanone?
(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methoxyphenyl)methanone has a molecular weight of 355.50 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 101064485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).