N-cyclopropyl-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide

C23H24N4O4S — CID 1023867

About N-cyclopropyl-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide

N-cyclopropyl-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 1023867) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
• PubChem CID: 1023867
• Molecular Formula: C23H24N4O4S
• Molecular Weight: 452.54 g/mol
• Exact Mass: 452.15
• IUPAC Name: N-cyclopropyl-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
• SMILES: Cc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NCc3ccco3)cs2)C2CC2)cc1
• InChI: InChI=1S/C23H24N4O4S/c1-15-4-6-16(7-5-15)22(30)27(18-8-9-18)13-21(29)26-23-25-17(14-32-23)11-20(28)24-12-19-3-2-10-31-19/h2-7,10,14,18H,8-9,11-13H2,1H3,(H,24,28)(H,25,26,29)
• InChIKey: CWJXZDQLUZRBEY-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 104.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.54
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide?

The IUPAC name of N-cyclopropyl-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide (CID 1023867) is N-cyclopropyl-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide.

What is the SMILES notation for N-cyclopropyl-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide?

The canonical SMILES for N-cyclopropyl-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NCc3ccco3)cs2)C2CC2)cc1.

What is the InChIKey of N-cyclopropyl-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide?

The InChIKey is CWJXZDQLUZRBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-15-4-6-16(7-5-15)22(30)27(18-8-9-18)13-21(29)26-23-25-17(14-32-23)11-20(28)24-12-19-3-2-10-31-19/h2-7,10,14,18H,8-9,11-13H2,1H3,(H,24,28)(H,25,26,29).

What are the key properties of N-cyclopropyl-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide?

N-cyclopropyl-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 452.54 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 1023867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).