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

C22H21ClN2O2S — CID 55664221

IUPAC2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccccc1N1CCc2sccc2C1
InChIInChI=1S/C22H21ClN2O2S/c1-15(27-18-6-4-5-17(23)13-18)22(26)24-19-7-2-3-8-20(19)25-11-9-21-16(14-25)10-12-28-21/h2-8,10,12-13,15H,9,11,14H2,1H3,(H,24,26)
InChIKeyXRPQEWURJMDAJI-UHFFFAOYSA-N
MW412.94 g/mol
LogP5.37
Rot. Bonds5

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

2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide (PubChem CID 55664221) has the molecular formula C22H21ClN2O2S and a molecular weight of 412.94 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide
PubChem CID55664221
Molecular FormulaC22H21ClN2O2S
Molecular Weight412.94 g/mol
Exact Mass412.10
IUPAC Name2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccccc1N1CCc2sccc2C1
InChIInChI=1S/C22H21ClN2O2S/c1-15(27-18-6-4-5-17(23)13-18)22(26)24-19-7-2-3-8-20(19)25-11-9-21-16(14-25)10-12-28-21/h2-8,10,12-13,15H,9,11,14H2,1H3,(H,24,26)
InChIKeyXRPQEWURJMDAJI-UHFFFAOYSA-N
XLogP5.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.94
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 16566801
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,5-dimethylbenzamide
CID 55664010
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
CID 2975075
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55762467
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
methyl 3-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]thiophene-2-carboxylate
CID 898480
(2R)-2-(3-chlorophenoxy)-N-naphthalen-1-ylpropanamide
CID 966274
N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 103479982
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227
2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 2943952
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(3-chlorophenoxy)propanamide
CID 9497371

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide (CID 55664221) is 2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1ccccc1N1CCc2sccc2C1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide?
The InChIKey is XRPQEWURJMDAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2S/c1-15(27-18-6-4-5-17(23)13-18)22(26)24-19-7-2-3-8-20(19)25-11-9-21-16(14-25)10-12-28-21/h2-8,10,12-13,15H,9,11,14H2,1H3,(H,24,26).
What are the key properties of 2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide?
2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide has a molecular weight of 412.94 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide is sourced from PubChem (CID 55664221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).