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

C24H26N6O5S — CID 3175043

IUPAC2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NCC3CCCO3)c3ccco3)n2)o1
InChIInChI=1S/C24H26N6O5S/c1-16-8-9-20(35-16)23-26-28-30(27-23)15-21(31)29(14-18-6-4-12-36-18)22(19-7-3-11-34-19)24(32)25-13-17-5-2-10-33-17/h3-4,6-9,11-12,17,22H,2,5,10,13-15H2,1H3,(H,25,32)
InChIKeyWMSORWXFVJMXLR-UHFFFAOYSA-N
MW510.58 g/mol
LogP2.96
Rot. Bonds10

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

2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3175043) has the molecular formula C24H26N6O5S and a molecular weight of 510.58 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3175043
Molecular FormulaC24H26N6O5S
Molecular Weight510.58 g/mol
Exact Mass510.17
IUPAC Name2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NCC3CCCO3)c3ccco3)n2)o1
InChIInChI=1S/C24H26N6O5S/c1-16-8-9-20(35-16)23-26-28-30(27-23)15-21(31)29(14-18-6-4-12-36-18)22(19-7-3-11-34-19)24(32)25-13-17-5-2-10-33-17/h3-4,6-9,11-12,17,22H,2,5,10,13-15H2,1H3,(H,25,32)
InChIKeyWMSORWXFVJMXLR-UHFFFAOYSA-N
XLogP2.96
TPSA128.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.58
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide (CID 3175043) is 2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NCC3CCCO3)c3ccco3)n2)o1.
What is the InChIKey of 2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is WMSORWXFVJMXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O5S/c1-16-8-9-20(35-16)23-26-28-30(27-23)15-21(31)29(14-18-6-4-12-36-18)22(19-7-3-11-34-19)24(32)25-13-17-5-2-10-33-17/h3-4,6-9,11-12,17,22H,2,5,10,13-15H2,1H3,(H,25,32).
What are the key properties of 2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 510.58 g/mol, XLogP of 2.96, 10 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-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3175043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).