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

C18H23N3OS — CID 120612672

IUPAC3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide
SMILESNc1ccccc1CCC(=O)NCCN1CCc2sccc2C1
InChIInChI=1S/C18H23N3OS/c19-16-4-2-1-3-14(16)5-6-18(22)20-9-11-21-10-7-17-15(13-21)8-12-23-17/h1-4,8,12H,5-7,9-11,13,19H2,(H,20,22)
InChIKeyKFILBVPAIQMBOV-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.44
Rot. Bonds6

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

3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide (PubChem CID 120612672) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide
PubChem CID120612672
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide
SMILESNc1ccccc1CCC(=O)NCCN1CCc2sccc2C1
InChIInChI=1S/C18H23N3OS/c19-16-4-2-1-3-14(16)5-6-18(22)20-9-11-21-10-7-17-15(13-21)8-12-23-17/h1-4,8,12H,5-7,9-11,13,19H2,(H,20,22)
InChIKeyKFILBVPAIQMBOV-UHFFFAOYSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 55097553
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride
CID 119862338
4-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pentanamide;dihydrochloride
CID 120564963
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(2-nitrophenyl)acetamide
CID 60569299
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
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CID 120612401
3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride
CID 120613391
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CID 107272754
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 60569564
3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea
CID 60569410
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60569928

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide (CID 120612672) is 3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide is Nc1ccccc1CCC(=O)NCCN1CCc2sccc2C1.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide?
The InChIKey is KFILBVPAIQMBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c19-16-4-2-1-3-14(16)5-6-18(22)20-9-11-21-10-7-17-15(13-21)8-12-23-17/h1-4,8,12H,5-7,9-11,13,19H2,(H,20,22).
What are the key properties of 3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide?
3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide has a molecular weight of 329.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide is sourced from PubChem (CID 120612672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).