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

C24H28N6O4S — CID 651565

IUPACN-tert-butyl-2-(5-methylfuran-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)NC(C)(C)C)c3ccc(C)o3)n2)o1
InChIInChI=1S/C24H28N6O4S/c1-15-8-10-18(33-15)21(23(32)25-24(3,4)5)29(13-17-7-6-12-35-17)20(31)14-30-27-22(26-28-30)19-11-9-16(2)34-19/h6-12,21H,13-14H2,1-5H3,(H,25,32)
InChIKeyDKAWBSCPXUCOLQ-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.89
Rot. Bonds8

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

N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 651565) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID651565
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC NameN-tert-butyl-2-(5-methylfuran-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)NC(C)(C)C)c3ccc(C)o3)n2)o1
InChIInChI=1S/C24H28N6O4S/c1-15-8-10-18(33-15)21(23(32)25-24(3,4)5)29(13-17-7-6-12-35-17)20(31)14-30-27-22(26-28-30)19-11-9-16(2)34-19/h6-12,21H,13-14H2,1-5H3,(H,25,32)
InChIKeyDKAWBSCPXUCOLQ-UHFFFAOYSA-N
XLogP3.89
TPSA119.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide (CID 651565) is N-tert-butyl-2-(5-methylfuran-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-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-(5-methylfuran-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)NC(C)(C)C)c3ccc(C)o3)n2)o1.
What is the InChIKey of N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is DKAWBSCPXUCOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-15-8-10-18(33-15)21(23(32)25-24(3,4)5)29(13-17-7-6-12-35-17)20(31)14-30-27-22(26-28-30)19-11-9-16(2)34-19/h6-12,21H,13-14H2,1-5H3,(H,25,32).
What are the key properties of N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 496.59 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 651565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).