(2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[2-(furan-2-yl)ethyl]propanamide

C20H20ClN3O3S — CID 92881972

About (2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[2-(furan-2-yl)ethyl]propanamide

(2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[2-(furan-2-yl)ethyl]propanamide (PubChem CID 92881972) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is (2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[2-(furan-2-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[2-(furan-2-yl)ethyl]propanamide
• PubChem CID: 92881972
• Molecular Formula: C20H20ClN3O3S
• Molecular Weight: 417.92 g/mol
• Exact Mass: 417.09
• IUPAC Name: (2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[2-(furan-2-yl)ethyl]propanamide
• SMILES: Cc1ccc(-n2nc(S[C@H](C)C(=O)NCCc3ccco3)ccc2=O)cc1Cl
• InChI: InChI=1S/C20H20ClN3O3S/c1-13-5-6-15(12-17(13)21)24-19(25)8-7-18(23-24)28-14(2)20(26)22-10-9-16-4-3-11-27-16/h3-8,11-12,14H,9-10H2,1-2H3,(H,22,26)/t14-/m1/s1
• InChIKey: XCKPSNFVTDVSTM-CQSZACIVSA-N
• XLogP: 3.63
• TPSA: 77.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.92
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[2-(furan-2-yl)ethyl]propanamide?

The IUPAC name of (2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[2-(furan-2-yl)ethyl]propanamide (CID 92881972) is (2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[2-(furan-2-yl)ethyl]propanamide.

What is the SMILES notation for (2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[2-(furan-2-yl)ethyl]propanamide?

The canonical SMILES for (2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[2-(furan-2-yl)ethyl]propanamide is Cc1ccc(-n2nc(S[C@H](C)C(=O)NCCc3ccco3)ccc2=O)cc1Cl.

What is the InChIKey of (2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[2-(furan-2-yl)ethyl]propanamide?

The InChIKey is XCKPSNFVTDVSTM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-13-5-6-15(12-17(13)21)24-19(25)8-7-18(23-24)28-14(2)20(26)22-10-9-16-4-3-11-27-16/h3-8,11-12,14H,9-10H2,1-2H3,(H,22,26)/t14-/m1/s1.

What are the key properties of (2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[2-(furan-2-yl)ethyl]propanamide?

(2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[2-(furan-2-yl)ethyl]propanamide has a molecular weight of 417.92 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[2-(furan-2-yl)ethyl]propanamide is sourced from PubChem (CID 92881972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).