N-[4-[2-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C23H26N4O5S — CID 55901042

About N-[4-[2-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 55901042) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[4-[2-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 55901042
• Molecular Formula: C23H26N4O5S
• Molecular Weight: 470.55 g/mol
• Exact Mass: 470.16
• IUPAC Name: N-[4-[2-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: CCC(NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccccc1OCC(=O)N(C)C
• InChI: InChI=1S/C23H26N4O5S/c1-4-17(16-8-5-6-9-18(16)32-13-21(29)27(2)3)25-20(28)12-15-14-33-23(24-15)26-22(30)19-10-7-11-31-19/h5-11,14,17H,4,12-13H2,1-3H3,(H,25,28)(H,24,26,30)
• InChIKey: CTTLCNNWSOGPNI-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 113.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.55
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-[2-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 55901042) is N-[4-[2-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[2-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-[2-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is CCC(NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccccc1OCC(=O)N(C)C.

What is the InChIKey of N-[4-[2-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is CTTLCNNWSOGPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-4-17(16-8-5-6-9-18(16)32-13-21(29)27(2)3)25-20(28)12-15-14-33-23(24-15)26-22(30)19-10-7-11-31-19/h5-11,14,17H,4,12-13H2,1-3H3,(H,25,28)(H,24,26,30).

What are the key properties of N-[4-[2-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

N-[4-[2-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 3.27, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55901042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).