N-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C20H23FN6O2S — CID 3190058

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCC(C)(C)NC(=O)CN(Cc1ccccc1F)C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C20H23FN6O2S/c1-20(2,3)22-17(28)12-26(11-14-7-4-5-8-15(14)21)18(29)13-27-24-19(23-25-27)16-9-6-10-30-16/h4-10H,11-13H2,1-3H3,(H,22,28)
InChIKeyPYBWXGPBSNJFNG-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.48
Rot. Bonds7

About N-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 3190058) has the molecular formula C20H23FN6O2S and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID3190058
Molecular FormulaC20H23FN6O2S
Molecular Weight430.51 g/mol
Exact Mass430.16
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCC(C)(C)NC(=O)CN(Cc1ccccc1F)C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C20H23FN6O2S/c1-20(2,3)22-17(28)12-26(11-14-7-4-5-8-15(14)21)18(29)13-27-24-19(23-25-27)16-9-6-10-30-16/h4-10H,11-13H2,1-3H3,(H,22,28)
InChIKeyPYBWXGPBSNJFNG-UHFFFAOYSA-N
XLogP2.48
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 3190058) is N-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is CC(C)(C)NC(=O)CN(Cc1ccccc1F)C(=O)Cn1nnc(-c2cccs2)n1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is PYBWXGPBSNJFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2S/c1-20(2,3)22-17(28)12-26(11-14-7-4-5-8-15(14)21)18(29)13-27-24-19(23-25-27)16-9-6-10-30-16/h4-10H,11-13H2,1-3H3,(H,22,28).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 430.51 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 3190058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).