N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide

C15H13FN6O2S — CID 9128274

IUPACN-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
SMILESO=C(Cn1nnc(-c2ccsc2)n1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H13FN6O2S/c16-11-1-3-12(4-2-11)18-13(23)7-17-14(24)8-22-20-15(19-21-22)10-5-6-25-9-10/h1-6,9H,7-8H2,(H,17,24)(H,18,23)
InChIKeyHMTYDJQBLIMGPA-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.30
Rot. Bonds6

About N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide

N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide (PubChem CID 9128274) has the molecular formula C15H13FN6O2S and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
PubChem CID9128274
Molecular FormulaC15H13FN6O2S
Molecular Weight360.37 g/mol
Exact Mass360.08
IUPAC NameN-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
SMILESO=C(Cn1nnc(-c2ccsc2)n1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H13FN6O2S/c16-11-1-3-12(4-2-11)18-13(23)7-17-14(24)8-22-20-15(19-21-22)10-5-6-25-9-10/h1-6,9H,7-8H2,(H,17,24)(H,18,23)
InChIKeyHMTYDJQBLIMGPA-UHFFFAOYSA-N
XLogP1.30
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate
CID 9128050
2-(5-thiophen-3-yltetrazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9128049
N-(2,3-dimethylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
CID 9128261
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
N-(4-phenoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128090
N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9127998
N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115628398
N-(5-hydroxypentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 107318628
N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115612942
4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 43245246
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216097

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide (CID 9128274) is N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide is O=C(Cn1nnc(-c2ccsc2)n1)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide?
The InChIKey is HMTYDJQBLIMGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O2S/c16-11-1-3-12(4-2-11)18-13(23)7-17-14(24)8-22-20-15(19-21-22)10-5-6-25-9-10/h1-6,9H,7-8H2,(H,17,24)(H,18,23).
What are the key properties of N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide?
N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide has a molecular weight of 360.37 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide is sourced from PubChem (CID 9128274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).