2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide

C26H23N5O4 — CID 648356

IUPAC2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
SMILESCc1ccc(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)o1
InChIInChI=1S/C26H23N5O4/c1-18-13-14-23(35-18)25(26(33)27-16-20-10-7-15-34-20)31(19-8-3-2-4-9-19)24(32)17-30-22-12-6-5-11-21(22)28-29-30/h2-15,25H,16-17H2,1H3,(H,27,33)
InChIKeyHLSJFRLVVWLHLZ-UHFFFAOYSA-N
MW469.50 g/mol
LogP4.02
Rot. Bonds8

About 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide

2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 648356) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

Compound Name2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
PubChem CID648356
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC Name2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
SMILESCc1ccc(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)o1
InChIInChI=1S/C26H23N5O4/c1-18-13-14-23(35-18)25(26(33)27-16-20-10-7-15-34-20)31(19-8-3-2-4-9-19)24(32)17-30-22-12-6-5-11-21(22)28-29-30/h2-15,25H,16-17H2,1H3,(H,27,33)
InChIKeyHLSJFRLVVWLHLZ-UHFFFAOYSA-N
XLogP4.02
TPSA106.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?
The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide (CID 648356) is 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide.
What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?
The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide is Cc1ccc(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)o1.
What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?
The InChIKey is HLSJFRLVVWLHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-18-13-14-23(35-18)25(26(33)27-16-20-10-7-15-34-20)31(19-8-3-2-4-9-19)24(32)17-30-22-12-6-5-11-21(22)28-29-30/h2-15,25H,16-17H2,1H3,(H,27,33).
What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?
2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 469.50 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 648356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).