N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-thiophen-2-yltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C20H21F3N6O2S — CID 3190059

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-(5-thiophen-2-yltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(C)NC(=O)CN(C(=O)Cn1nnc(-c2cccs2)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F3N6O2S/c1-19(2,3)24-16(30)11-28(14-8-5-4-7-13(14)20(21,22)23)17(31)12-29-26-18(25-27-29)15-9-6-10-32-15/h4-10H,11-12H2,1-3H3,(H,24,30)
InChIKeyVUEYNMQNHAUFMK-UHFFFAOYSA-N
MW466.49 g/mol
LogP3.37
Rot. Bonds6

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

N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-thiophen-2-yltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 3190059) has the molecular formula C20H21F3N6O2S and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-thiophen-2-yltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(5-thiophen-2-yltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID3190059
Molecular FormulaC20H21F3N6O2S
Molecular Weight466.49 g/mol
Exact Mass466.14
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(5-thiophen-2-yltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(C)NC(=O)CN(C(=O)Cn1nnc(-c2cccs2)n1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F3N6O2S/c1-19(2,3)24-16(30)11-28(14-8-5-4-7-13(14)20(21,22)23)17(31)12-29-26-18(25-27-29)15-9-6-10-32-15/h4-10H,11-12H2,1-3H3,(H,24,30)
InChIKeyVUEYNMQNHAUFMK-UHFFFAOYSA-N
XLogP3.37
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-tert-butyl-2-(2-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
CID 25306348
N-benzyl-2-(4-hydroxyphenyl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide
CID 3190200
N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide
CID 3190133
N-[2-(tert-butylamino)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3178620
3-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 64670550
(2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide
CID 25306317
2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide
CID 3190087
2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 60827025
N-(cyclopenten-1-yl)-N-ethyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 9114265
N-(2-ethylphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 646110
2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 43354422
N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 107202006

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-thiophen-2-yltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-thiophen-2-yltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 3190059) is N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-thiophen-2-yltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-thiophen-2-yltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-thiophen-2-yltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is CC(C)(C)NC(=O)CN(C(=O)Cn1nnc(-c2cccs2)n1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-thiophen-2-yltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VUEYNMQNHAUFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2S/c1-19(2,3)24-16(30)11-28(14-8-5-4-7-13(14)20(21,22)23)17(31)12-29-26-18(25-27-29)15-9-6-10-32-15/h4-10H,11-12H2,1-3H3,(H,24,30).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-thiophen-2-yltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-thiophen-2-yltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 466.49 g/mol, XLogP of 3.37, 6 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]-2-(5-thiophen-2-yltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3190059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).