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

C24H26N6O4S — CID 3174820

IUPACN-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C(C(=O)NC3CCCC3)c3cccs3)n2)o1
InChIInChI=1S/C24H26N6O4S/c1-16-10-11-19(34-16)23-26-28-30(27-23)15-21(31)29(14-18-8-4-12-33-18)22(20-9-5-13-35-20)24(32)25-17-6-2-3-7-17/h4-5,8-13,17,22H,2-3,6-7,14-15H2,1H3,(H,25,32)
InChIKeyPHEMJMZBNUKOKK-UHFFFAOYSA-N
MW494.58 g/mol
LogP3.72
Rot. Bonds9

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

N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide (PubChem CID 3174820) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide
PubChem CID3174820
Molecular FormulaC24H26N6O4S
Molecular Weight494.58 g/mol
Exact Mass494.17
IUPAC NameN-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C(C(=O)NC3CCCC3)c3cccs3)n2)o1
InChIInChI=1S/C24H26N6O4S/c1-16-10-11-19(34-16)23-26-28-30(27-23)15-21(31)29(14-18-8-4-12-33-18)22(20-9-5-13-35-20)24(32)25-17-6-2-3-7-17/h4-5,8-13,17,22H,2-3,6-7,14-15H2,1H3,(H,25,32)
InChIKeyPHEMJMZBNUKOKK-UHFFFAOYSA-N
XLogP3.72
TPSA119.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide (CID 3174820) is N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C(C(=O)NC3CCCC3)c3cccs3)n2)o1.
What is the InChIKey of N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide?
The InChIKey is PHEMJMZBNUKOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-16-10-11-19(34-16)23-26-28-30(27-23)15-21(31)29(14-18-8-4-12-33-18)22(20-9-5-13-35-20)24(32)25-17-6-2-3-7-17/h4-5,8-13,17,22H,2-3,6-7,14-15H2,1H3,(H,25,32).
What are the key properties of N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide?
N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide has a molecular weight of 494.58 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3174820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).