[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate

C17H17N5O3S — CID 8541753

IUPAC[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
SMILESCc1ccc(NC(=O)COC(=O)Cn2nnc(-c3cccs3)n2)c(C)c1
InChIInChI=1S/C17H17N5O3S/c1-11-5-6-13(12(2)8-11)18-15(23)10-25-16(24)9-22-20-17(19-21-22)14-4-3-7-26-14/h3-8H,9-10H2,1-2H3,(H,18,23)
InChIKeyGFEZJSUWFXJSNY-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.20
Rot. Bonds6

About [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate

[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate (PubChem CID 8541753) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate.

Molecular Properties

Compound Name[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
PubChem CID8541753
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
SMILESCc1ccc(NC(=O)COC(=O)Cn2nnc(-c3cccs3)n2)c(C)c1
InChIInChI=1S/C17H17N5O3S/c1-11-5-6-13(12(2)8-11)18-15(23)10-25-16(24)9-22-20-17(19-21-22)14-4-3-7-26-14/h3-8H,9-10H2,1-2H3,(H,18,23)
InChIKeyGFEZJSUWFXJSNY-UHFFFAOYSA-N
XLogP2.20
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8541692
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8541436
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8542475
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8543451
propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 862090
N-(2-ethylphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 646110
N-(2,4-dimethylphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 36704967
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate
CID 7776162
N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4796992
N-(1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 61393718
[2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-dithiophen-2-ylprop-2-enoate
CID 5036389
2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 43354422

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate?
The IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate (CID 8541753) is [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate.
What is the SMILES notation for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate?
The canonical SMILES for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate is Cc1ccc(NC(=O)COC(=O)Cn2nnc(-c3cccs3)n2)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate?
The InChIKey is GFEZJSUWFXJSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-11-5-6-13(12(2)8-11)18-15(23)10-25-16(24)9-22-20-17(19-21-22)14-4-3-7-26-14/h3-8H,9-10H2,1-2H3,(H,18,23).
What are the key properties of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate?
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate has a molecular weight of 371.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate is sourced from PubChem (CID 8541753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).