N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

C21H22N4O5S — CID 55760541

About N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 55760541) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
• PubChem CID: 55760541
• Molecular Formula: C21H22N4O5S
• Molecular Weight: 442.50 g/mol
• Exact Mass: 442.13
• IUPAC Name: N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
• SMILES: CCNC(=O)COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1
• InChI: InChI=1S/C21H22N4O5S/c1-3-22-19(27)11-30-16-6-4-14(5-7-16)23-18(26)10-15-12-31-21(24-15)25-20(28)17-8-9-29-13(17)2/h4-9,12H,3,10-11H2,1-2H3,(H,22,27)(H,23,26)(H,24,25,28)
• InChIKey: LRQHDXRLXJEYDW-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 122.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.50
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

The IUPAC name of N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (CID 55760541) is N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

What is the SMILES notation for N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

The canonical SMILES for N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is CCNC(=O)COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1.

What is the InChIKey of N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

The InChIKey is LRQHDXRLXJEYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-3-22-19(27)11-30-16-6-4-14(5-7-16)23-18(26)10-15-12-31-21(24-15)25-20(28)17-8-9-29-13(17)2/h4-9,12H,3,10-11H2,1-2H3,(H,22,27)(H,23,26)(H,24,25,28).

What are the key properties of N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 442.50 g/mol, XLogP of 2.99, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55760541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).