2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide

C18H20Cl2N2O2S — CID 60569382

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCN1CCc2sccc2C1
InChIInChI=1S/C18H20Cl2N2O2S/c1-12(24-16-3-2-14(19)10-15(16)20)18(23)21-6-8-22-7-4-17-13(11-22)5-9-25-17/h2-3,5,9-10,12H,4,6-8,11H2,1H3,(H,21,23)
InChIKeyKXXUNOLXJSMVAZ-UHFFFAOYSA-N
MW399.34 g/mol
LogP4.00
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide

2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide (PubChem CID 60569382) has the molecular formula C18H20Cl2N2O2S and a molecular weight of 399.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide
PubChem CID60569382
Molecular FormulaC18H20Cl2N2O2S
Molecular Weight399.34 g/mol
Exact Mass398.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCN1CCc2sccc2C1
InChIInChI=1S/C18H20Cl2N2O2S/c1-12(24-16-3-2-14(19)10-15(16)20)18(23)21-6-8-22-7-4-17-13(11-22)5-9-25-17/h2-3,5,9-10,12H,4,6-8,11H2,1H3,(H,21,23)
InChIKeyKXXUNOLXJSMVAZ-UHFFFAOYSA-N
XLogP4.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide with MolForge

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 42469955
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301
2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2931257
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 60569215
N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide
CID 60571534
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
(2S)-2-(2,4-dichlorophenoxy)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide
CID 97064260
3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea
CID 60569410
2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119555
N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 55734024

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide (CID 60569382) is 2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCN1CCc2sccc2C1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide?
The InChIKey is KXXUNOLXJSMVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2S/c1-12(24-16-3-2-14(19)10-15(16)20)18(23)21-6-8-22-7-4-17-13(11-22)5-9-25-17/h2-3,5,9-10,12H,4,6-8,11H2,1H3,(H,21,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide has a molecular weight of 399.34 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide is sourced from PubChem (CID 60569382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).