N-tert-butyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide

C24H26N6O3S — CID 3179194

IUPACN-tert-butyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(c3ccccc3)C(C(=O)NC(C)(C)C)c3cccs3)n2)o1
InChIInChI=1S/C24H26N6O3S/c1-16-12-13-18(33-16)22-26-28-29(27-22)15-20(31)30(17-9-6-5-7-10-17)21(19-11-8-14-34-19)23(32)25-24(2,3)4/h5-14,21H,15H2,1-4H3,(H,25,32)
InChIKeyUIDPWOAPIWMICJ-UHFFFAOYSA-N
MW478.58 g/mol
LogP3.99
Rot. Bonds7

About N-tert-butyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide

N-tert-butyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide (PubChem CID 3179194) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is N-tert-butyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
PubChem CID3179194
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC NameN-tert-butyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(c3ccccc3)C(C(=O)NC(C)(C)C)c3cccs3)n2)o1
InChIInChI=1S/C24H26N6O3S/c1-16-12-13-18(33-16)22-26-28-29(27-22)15-20(31)30(17-9-6-5-7-10-17)21(19-11-8-14-34-19)23(32)25-24(2,3)4/h5-14,21H,15H2,1-4H3,(H,25,32)
InChIKeyUIDPWOAPIWMICJ-UHFFFAOYSA-N
XLogP3.99
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?
The IUPAC name of N-tert-butyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide (CID 3179194) is N-tert-butyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-tert-butyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-tert-butyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)C(C(=O)NC(C)(C)C)c3cccs3)n2)o1.
What is the InChIKey of N-tert-butyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?
The InChIKey is UIDPWOAPIWMICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-16-12-13-18(33-16)22-26-28-29(27-22)15-20(31)30(17-9-6-5-7-10-17)21(19-11-8-14-34-19)23(32)25-24(2,3)4/h5-14,21H,15H2,1-4H3,(H,25,32).
What are the key properties of N-tert-butyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?
N-tert-butyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide has a molecular weight of 478.58 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3179194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).