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

C25H28N6O4S — CID 3174912

IUPACN-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NC3CCCCC3)c3ccco3)n2)o1
InChIInChI=1S/C25H28N6O4S/c1-17-11-12-21(35-17)24-27-29-31(28-24)16-22(32)30(15-19-9-6-14-36-19)23(20-10-5-13-34-20)25(33)26-18-7-3-2-4-8-18/h5-6,9-14,18,23H,2-4,7-8,15-16H2,1H3,(H,26,33)
InChIKeyHZVJKKCYPSOPJI-UHFFFAOYSA-N
MW508.60 g/mol
LogP4.12
Rot. Bonds9

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

N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 3174912) has the molecular formula C25H28N6O4S and a molecular weight of 508.60 g/mol. Its IUPAC name is N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID3174912
Molecular FormulaC25H28N6O4S
Molecular Weight508.60 g/mol
Exact Mass508.19
IUPAC NameN-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NC3CCCCC3)c3ccco3)n2)o1
InChIInChI=1S/C25H28N6O4S/c1-17-11-12-21(35-17)24-27-29-31(28-24)16-22(32)30(15-19-9-6-14-36-19)23(20-10-5-13-34-20)25(33)26-18-7-3-2-4-8-18/h5-6,9-14,18,23H,2-4,7-8,15-16H2,1H3,(H,26,33)
InChIKeyHZVJKKCYPSOPJI-UHFFFAOYSA-N
XLogP4.12
TPSA119.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide (CID 3174912) is N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide is Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NC3CCCCC3)c3ccco3)n2)o1.
What is the InChIKey of N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is HZVJKKCYPSOPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4S/c1-17-11-12-21(35-17)24-27-29-31(28-24)16-22(32)30(15-19-9-6-14-36-19)23(20-10-5-13-34-20)25(33)26-18-7-3-2-4-8-18/h5-6,9-14,18,23H,2-4,7-8,15-16H2,1H3,(H,26,33).
What are the key properties of N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 508.60 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 3174912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).