(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide

C25H20FN5O3S — CID 1439889

About (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide

(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide (PubChem CID 1439889) has the molecular formula C25H20FN5O3S and a molecular weight of 489.53 g/mol. Its IUPAC name is (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide
• PubChem CID: 1439889
• Molecular Formula: C25H20FN5O3S
• Molecular Weight: 489.53 g/mol
• Exact Mass: 489.13
• IUPAC Name: (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide
• SMILES: O=C(NCc1ccco1)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1
• InChI: InChI=1S/C25H20FN5O3S/c26-17-6-3-7-18(14-17)31(23(32)16-30-21-10-2-1-9-20(21)28-29-30)24(22-11-5-13-35-22)25(33)27-15-19-8-4-12-34-19/h1-14,24H,15-16H2,(H,27,33)/t24-/m0/s1
• InChIKey: ILVWDFQYZCGGCL-DEOSSOPVSA-N
• XLogP: 4.32
• TPSA: 93.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.53
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide?

The IUPAC name of (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide (CID 1439889) is (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide.

What is the SMILES notation for (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide?

The canonical SMILES for (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide is O=C(NCc1ccco1)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1.

What is the InChIKey of (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide?

The InChIKey is ILVWDFQYZCGGCL-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H20FN5O3S/c26-17-6-3-7-18(14-17)31(23(32)16-30-21-10-2-1-9-20(21)28-29-30)24(22-11-5-13-35-22)25(33)27-15-19-8-4-12-34-19/h1-14,24H,15-16H2,(H,27,33)/t24-/m0/s1.

What are the key properties of (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide?

(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide has a molecular weight of 489.53 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 1439889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).