N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide

C24H30N6O3S — CID 3174798

IUPACN-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(C3CCCC3)C(C(=O)NC3CCCC3)c3cccs3)n2)o1
InChIInChI=1S/C24H30N6O3S/c1-16-12-13-19(33-16)23-26-28-29(27-23)15-21(31)30(18-9-4-5-10-18)22(20-11-6-14-34-20)24(32)25-17-7-2-3-8-17/h6,11-14,17-18,22H,2-5,7-10,15H2,1H3,(H,25,32)
InChIKeyZELIWPJQYKZERD-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.87
Rot. Bonds8

About N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide

N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide (PubChem CID 3174798) has the molecular formula C24H30N6O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide
PubChem CID3174798
Molecular FormulaC24H30N6O3S
Molecular Weight482.61 g/mol
Exact Mass482.21
IUPAC NameN-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(C3CCCC3)C(C(=O)NC3CCCC3)c3cccs3)n2)o1
InChIInChI=1S/C24H30N6O3S/c1-16-12-13-19(33-16)23-26-28-29(27-23)15-21(31)30(18-9-4-5-10-18)22(20-11-6-14-34-20)24(32)25-17-7-2-3-8-17/h6,11-14,17-18,22H,2-5,7-10,15H2,1H3,(H,25,32)
InChIKeyZELIWPJQYKZERD-UHFFFAOYSA-N
XLogP3.87
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide (CID 3174798) is N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(C3CCCC3)C(C(=O)NC3CCCC3)c3cccs3)n2)o1.
What is the InChIKey of N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide?
The InChIKey is ZELIWPJQYKZERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-16-12-13-19(33-16)23-26-28-29(27-23)15-21(31)30(18-9-4-5-10-18)22(20-11-6-14-34-20)24(32)25-17-7-2-3-8-17/h6,11-14,17-18,22H,2-5,7-10,15H2,1H3,(H,25,32).
What are the key properties of N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide?
N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide has a molecular weight of 482.61 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3174798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).