2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide

C26H28N6O6 — CID 3175044

IUPAC2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C(C(=O)NCC3CCCO3)c3ccco3)n2)cc1
InChIInChI=1S/C26H28N6O6/c1-35-19-10-8-18(9-11-19)25-28-30-32(29-25)17-23(33)31(16-21-6-3-13-37-21)24(22-7-4-14-38-22)26(34)27-15-20-5-2-12-36-20/h3-4,6-11,13-14,20,24H,2,5,12,15-17H2,1H3,(H,27,34)
InChIKeyUJWZFXGDUXASTI-UHFFFAOYSA-N
MW520.55 g/mol
LogP2.60
Rot. Bonds11

About 2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide

2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3175044) has the molecular formula C26H28N6O6 and a molecular weight of 520.55 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3175044
Molecular FormulaC26H28N6O6
Molecular Weight520.55 g/mol
Exact Mass520.21
IUPAC Name2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C(C(=O)NCC3CCCO3)c3ccco3)n2)cc1
InChIInChI=1S/C26H28N6O6/c1-35-19-10-8-18(9-11-19)25-28-30-32(29-25)17-23(33)31(16-21-6-3-13-37-21)24(22-7-4-14-38-22)26(34)27-15-20-5-2-12-36-20/h3-4,6-11,13-14,20,24H,2,5,12,15-17H2,1H3,(H,27,34)
InChIKeyUJWZFXGDUXASTI-UHFFFAOYSA-N
XLogP2.60
TPSA137.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.55
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-(4-Ethoxy-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide
CID 644706
2-[5-(4-butoxyphenyl)-2-tetrazolyl]-N-(2-furanylmethyl)acetamide
CID 644791
N-tert-Butyl-2-((2-fluoro-phenyl)-{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 649792
N-tert-Butyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 651396
N-tert-Butyl-2-((3-fluoro-phenyl)-{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 653521
N-Cyclopentyl-2-furan-2-yl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-phenyl-amino)-acetamide
CID 655204
N-Cyclopentyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 3174716
N-cyclopentyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]acetamide
CID 3174745
N-Cyclopentyl-2-((3-ethoxy-propyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-(5-methyl-furan-2-yl)-acetamide
CID 3174772
N-Cyclohexyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 3174854
2-(4-Fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3175006
2-(2-furanyl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methyl-2-furanyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-(2-oxolanylmethyl)acetamide
CID 3175037

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide (CID 3175044) is 2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C(C(=O)NCC3CCCO3)c3ccco3)n2)cc1.
What is the InChIKey of 2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is UJWZFXGDUXASTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O6/c1-35-19-10-8-18(9-11-19)25-28-30-32(29-25)17-23(33)31(16-21-6-3-13-37-21)24(22-7-4-14-38-22)26(34)27-15-20-5-2-12-36-20/h3-4,6-11,13-14,20,24H,2,5,12,15-17H2,1H3,(H,27,34).
What are the key properties of 2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 520.55 g/mol, XLogP of 2.60, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3175044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).