2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

C18H20F2N2O2S — CID 55503655

IUPAC2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCN(CC(=O)N1CCc2sccc2C1)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H20F2N2O2S/c1-21(10-13-2-4-15(5-3-13)24-18(19)20)12-17(23)22-8-6-16-14(11-22)7-9-25-16/h2-5,7,9,18H,6,8,10-12H2,1H3
InChIKeyYWVMRDBILHNYKS-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.37
Rot. Bonds6

About 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 55503655) has the molecular formula C18H20F2N2O2S and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID55503655
Molecular FormulaC18H20F2N2O2S
Molecular Weight366.43 g/mol
Exact Mass366.12
IUPAC Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCN(CC(=O)N1CCc2sccc2C1)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H20F2N2O2S/c1-21(10-13-2-4-15(5-3-13)24-18(19)20)12-17(23)22-8-6-16-14(11-22)7-9-25-16/h2-5,7,9,18H,6,8,10-12H2,1H3
InChIKeyYWVMRDBILHNYKS-UHFFFAOYSA-N
XLogP3.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone with MolForge

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Related Compounds

2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]acetic acid;hydrochloride
CID 56813164
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone
CID 62015561
2-[(3-amino-4-methylpentyl)-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 81496619
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 18142165
3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-1,2-dimethylguanidine
CID 111307292
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 2-(4-bromophenoxy)propanoate
CID 55503588
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxyphenoxy)ethanone
CID 42470135
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102636643
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 38216091
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-methoxyethoxyamino)ethanone
CID 82722147
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62020846

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 55503655) is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is CN(CC(=O)N1CCc2sccc2C1)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is YWVMRDBILHNYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2S/c1-21(10-13-2-4-15(5-3-13)24-18(19)20)12-17(23)22-8-6-16-14(11-22)7-9-25-16/h2-5,7,9,18H,6,8,10-12H2,1H3.
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 366.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 55503655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).