(2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide;dihydrochloride

C18H23Cl4N3OS — CID 119849419

About (2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide;dihydrochloride

(2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide;dihydrochloride (PubChem CID 119849419) has the molecular formula C18H23Cl4N3OS and a molecular weight of 471.28 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide;dihydrochloride.

Molecular Properties

• Compound Name: (2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide;dihydrochloride
• PubChem CID: 119849419
• Molecular Formula: C18H23Cl4N3OS
• Molecular Weight: 471.28 g/mol
• Exact Mass: 469.03
• IUPAC Name: (2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide;dihydrochloride
• SMILES: C[C@@H](N)C(=O)NCC(c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1.Cl.Cl
• InChI: InChI=1S/C18H21Cl2N3OS.2ClH/c1-11(21)18(24)22-9-16(12-2-3-14(19)15(20)8-12)23-6-4-17-13(10-23)5-7-25-17;;/h2-3,5,7-8,11,16H,4,6,9-10,21H2,1H3,(H,22,24);2*1H/t11-,16?;;/m1../s1
• InChIKey: OKWBIRFHHHJINC-BBSPEGGKSA-N
• XLogP: 4.46
• TPSA: 58.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.28
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide;dihydrochloride?

The IUPAC name of (2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide;dihydrochloride (CID 119849419) is (2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide;dihydrochloride.

What is the SMILES notation for (2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide;dihydrochloride?

The canonical SMILES for (2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide;dihydrochloride is C[C@@H](N)C(=O)NCC(c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1.Cl.Cl.

What is the InChIKey of (2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide;dihydrochloride?

The InChIKey is OKWBIRFHHHJINC-BBSPEGGKSA-N. The full InChI is InChI=1S/C18H21Cl2N3OS.2ClH/c1-11(21)18(24)22-9-16(12-2-3-14(19)15(20)8-12)23-6-4-17-13(10-23)5-7-25-17;;/h2-3,5,7-8,11,16H,4,6,9-10,21H2,1H3,(H,22,24);2*1H/t11-,16?;;/m1../s1.

What are the key properties of (2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide;dihydrochloride?

(2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide;dihydrochloride has a molecular weight of 471.28 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119849419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).