[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate

C18H19N5O3S — CID 8541692

IUPAC[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C18H19N5O3S/c1-12(2)13-6-3-4-7-14(13)19-16(24)11-26-17(25)10-23-21-18(20-22-23)15-8-5-9-27-15/h3-9,12H,10-11H2,1-2H3,(H,19,24)
InChIKeyWKSSIYBVKHZHFV-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.71
Rot. Bonds7

About [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate (PubChem CID 8541692) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
PubChem CID8541692
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C18H19N5O3S/c1-12(2)13-6-3-4-7-14(13)19-16(24)11-26-17(25)10-23-21-18(20-22-23)15-8-5-9-27-15/h3-9,12H,10-11H2,1-2H3,(H,19,24)
InChIKeyWKSSIYBVKHZHFV-UHFFFAOYSA-N
XLogP2.71
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8541753
propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 862090
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8541436
N-(2-ethylphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 646110
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8543451
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8542475
[2-oxo-2-(2-propan-2-ylanilino)ethyl] thiophene-2-carboxylate
CID 725009
N-(3-propan-2-ylphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 78806265
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2344895
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 51207708
N-(1-hydroxybutan-2-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 43393225
2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 43354422

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate?
The IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate (CID 8541692) is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate.
What is the SMILES notation for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate?
The canonical SMILES for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate is CC(C)c1ccccc1NC(=O)COC(=O)Cn1nnc(-c2cccs2)n1.
What is the InChIKey of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate?
The InChIKey is WKSSIYBVKHZHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-12(2)13-6-3-4-7-14(13)19-16(24)11-26-17(25)10-23-21-18(20-22-23)15-8-5-9-27-15/h3-9,12H,10-11H2,1-2H3,(H,19,24).
What are the key properties of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate?
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate has a molecular weight of 385.45 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate is sourced from PubChem (CID 8541692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).