2-cyano-N-ethyl-3-[3-ethyl-5-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]propanamide

C23H33N5O4S — CID 59203088

About 2-cyano-N-ethyl-3-[3-ethyl-5-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]propanamide

2-cyano-N-ethyl-3-[3-ethyl-5-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]propanamide (PubChem CID 59203088) has the molecular formula C23H33N5O4S and a molecular weight of 475.62 g/mol. Its IUPAC name is 2-cyano-N-ethyl-3-[3-ethyl-5-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-cyano-N-ethyl-3-[3-ethyl-5-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]propanamide
• PubChem CID: 59203088
• Molecular Formula: C23H33N5O4S
• Molecular Weight: 475.62 g/mol
• Exact Mass: 475.23
• IUPAC Name: 2-cyano-N-ethyl-3-[3-ethyl-5-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]propanamide
• SMILES: CCNC(=O)COc1cccc(NCCC2SC(CC(C#N)C(=O)NCC)N(CC)C2=O)c1
• InChI: InChI=1S/C23H33N5O4S/c1-4-25-20(29)15-32-18-9-7-8-17(13-18)27-11-10-19-23(31)28(6-3)21(33-19)12-16(14-24)22(30)26-5-2/h7-9,13,16,19,21,27H,4-6,10-12,15H2,1-3H3,(H,25,29)(H,26,30)
• InChIKey: FXJAPGCBDRAZDU-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 123.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.62
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-3-[3-ethyl-5-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]propanamide?

The IUPAC name of 2-cyano-N-ethyl-3-[3-ethyl-5-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]propanamide (CID 59203088) is 2-cyano-N-ethyl-3-[3-ethyl-5-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]propanamide.

What is the SMILES notation for 2-cyano-N-ethyl-3-[3-ethyl-5-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]propanamide?

The canonical SMILES for 2-cyano-N-ethyl-3-[3-ethyl-5-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]propanamide is CCNC(=O)COc1cccc(NCCC2SC(CC(C#N)C(=O)NCC)N(CC)C2=O)c1.

What is the InChIKey of 2-cyano-N-ethyl-3-[3-ethyl-5-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]propanamide?

The InChIKey is FXJAPGCBDRAZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4S/c1-4-25-20(29)15-32-18-9-7-8-17(13-18)27-11-10-19-23(31)28(6-3)21(33-19)12-16(14-24)22(30)26-5-2/h7-9,13,16,19,21,27H,4-6,10-12,15H2,1-3H3,(H,25,29)(H,26,30).

What are the key properties of 2-cyano-N-ethyl-3-[3-ethyl-5-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]propanamide?

2-cyano-N-ethyl-3-[3-ethyl-5-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]propanamide has a molecular weight of 475.62 g/mol, XLogP of 1.96, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-N-ethyl-3-[3-ethyl-5-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]ethyl]-4-oxo-1,3-thiazolidin-2-yl]propanamide is sourced from PubChem (CID 59203088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).