N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylfuran-2-carboxamide

C28H33N5O4S — CID 1030095

About N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylfuran-2-carboxamide

N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 1030095) has the molecular formula C28H33N5O4S and a molecular weight of 535.67 g/mol. Its IUPAC name is N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylfuran-2-carboxamide
• PubChem CID: 1030095
• Molecular Formula: C28H33N5O4S
• Molecular Weight: 535.67 g/mol
• Exact Mass: 535.23
• IUPAC Name: N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylfuran-2-carboxamide
• SMILES: CC(C)N(CC(=O)Nc1nc(CC(=O)N2CCN(CC=Cc3ccccc3)CC2)cs1)C(=O)c1ccco1
• InChI: InChI=1S/C28H33N5O4S/c1-21(2)33(27(36)24-11-7-17-37-24)19-25(34)30-28-29-23(20-38-28)18-26(35)32-15-13-31(14-16-32)12-6-10-22-8-4-3-5-9-22/h3-11,17,20-21H,12-16,18-19H2,1-2H3,(H,29,30,34)
• InChIKey: WCLANGBOAKNOQY-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 98.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.67
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylfuran-2-carboxamide?

The IUPAC name of N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylfuran-2-carboxamide (CID 1030095) is N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylfuran-2-carboxamide.

What is the SMILES notation for N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylfuran-2-carboxamide?

The canonical SMILES for N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylfuran-2-carboxamide is CC(C)N(CC(=O)Nc1nc(CC(=O)N2CCN(CC=Cc3ccccc3)CC2)cs1)C(=O)c1ccco1.

What is the InChIKey of N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylfuran-2-carboxamide?

The InChIKey is WCLANGBOAKNOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O4S/c1-21(2)33(27(36)24-11-7-17-37-24)19-25(34)30-28-29-23(20-38-28)18-26(35)32-15-13-31(14-16-32)12-6-10-22-8-4-3-5-9-22/h3-11,17,20-21H,12-16,18-19H2,1-2H3,(H,29,30,34).

What are the key properties of N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylfuran-2-carboxamide?

N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 535.67 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-2-[[4-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 1030095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).