N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide

C19H24N6O3S — CID 3178579

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NC(C)(C)C)Cc3cccs3)n2)o1
InChIInChI=1S/C19H24N6O3S/c1-13-7-8-15(28-13)18-21-23-25(22-18)12-17(27)24(10-14-6-5-9-29-14)11-16(26)20-19(2,3)4/h5-9H,10-12H2,1-4H3,(H,20,26)
InChIKeyNEGUGJXHWRKQJX-UHFFFAOYSA-N
MW416.51 g/mol
LogP2.25
Rot. Bonds7

About N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3178579) has the molecular formula C19H24N6O3S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3178579
Molecular FormulaC19H24N6O3S
Molecular Weight416.51 g/mol
Exact Mass416.16
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NC(C)(C)C)Cc3cccs3)n2)o1
InChIInChI=1S/C19H24N6O3S/c1-13-7-8-15(28-13)18-21-23-25(22-18)12-17(27)24(10-14-6-5-9-29-14)11-16(26)20-19(2,3)4/h5-9H,10-12H2,1-4H3,(H,20,26)
InChIKeyNEGUGJXHWRKQJX-UHFFFAOYSA-N
XLogP2.25
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 3178579) is N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC(C)(C)C)Cc3cccs3)n2)o1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is NEGUGJXHWRKQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S/c1-13-7-8-15(28-13)18-21-23-25(22-18)12-17(27)24(10-14-6-5-9-29-14)11-16(26)20-19(2,3)4/h5-9H,10-12H2,1-4H3,(H,20,26).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 416.51 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3178579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).