1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one

C22H22N2O2S — CID 55540553

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one
SMILESCC(Nc1ccc(Oc2ccccc2)cc1)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C22H22N2O2S/c1-16(22(25)24-13-11-21-17(15-24)12-14-27-21)23-18-7-9-20(10-8-18)26-19-5-3-2-4-6-19/h2-10,12,14,16,23H,11,13,15H2,1H3
InChIKeyNDDSXNAXOBYBCH-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.93
Rot. Bonds5

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one (PubChem CID 55540553) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one
PubChem CID55540553
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one
SMILESCC(Nc1ccc(Oc2ccccc2)cc1)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C22H22N2O2S/c1-16(22(25)24-13-11-21-17(15-24)12-14-27-21)23-18-7-9-20(10-8-18)26-19-5-3-2-4-6-19/h2-10,12,14,16,23H,11,13,15H2,1H3
InChIKeyNDDSXNAXOBYBCH-UHFFFAOYSA-N
XLogP4.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one with MolForge

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Related Compounds

N-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide
CID 94641757
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenylphenoxy)propan-1-one
CID 55607981
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methoxypropan-1-one
CID 115588170
2-(1,3-benzothiazol-2-ylamino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 24684946
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-phenoxyphenyl)methanone
CID 42470095
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxy-2-phenylethanone
CID 111432209
(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide
CID 42469480
4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]benzamide
CID 42470212
(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one
CID 94004829
[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 7859656
[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 7859658

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one (CID 55540553) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one is CC(Nc1ccc(Oc2ccccc2)cc1)C(=O)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one?
The InChIKey is NDDSXNAXOBYBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-16(22(25)24-13-11-21-17(15-24)12-14-27-21)23-18-7-9-20(10-8-18)26-19-5-3-2-4-6-19/h2-10,12,14,16,23H,11,13,15H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one has a molecular weight of 378.50 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one is sourced from PubChem (CID 55540553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).