methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate

C15H13N5O3S — CID 9128050

IUPACmethyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccsc3)n2)cc1
InChIInChI=1S/C15H13N5O3S/c1-23-15(22)10-2-4-12(5-3-10)16-13(21)8-20-18-14(17-19-20)11-6-7-24-9-11/h2-7,9H,8H2,1H3,(H,16,21)
InChIKeyWDDPVTXAKVBOQP-UHFFFAOYSA-N
MW343.37 g/mol
LogP1.83
Rot. Bonds5

About methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate

methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate (PubChem CID 9128050) has the molecular formula C15H13N5O3S and a molecular weight of 343.37 g/mol. Its IUPAC name is methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate
PubChem CID9128050
Molecular FormulaC15H13N5O3S
Molecular Weight343.37 g/mol
Exact Mass343.07
IUPAC Namemethyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccsc3)n2)cc1
InChIInChI=1S/C15H13N5O3S/c1-23-15(22)10-2-4-12(5-3-10)16-13(21)8-20-18-14(17-19-20)11-6-7-24-9-11/h2-7,9H,8H2,1H3,(H,16,21)
InChIKeyWDDPVTXAKVBOQP-UHFFFAOYSA-N
XLogP1.83
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

N-(4-phenoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128090
2-(5-thiophen-3-yltetrazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9128049
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
CID 9128274
N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9127998
ethyl 4-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate
CID 1266768
N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128117
N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115612942
2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216097
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677753
2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
CID 63912512

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate (CID 9128050) is methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccsc3)n2)cc1.
What is the InChIKey of methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate?
The InChIKey is WDDPVTXAKVBOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3S/c1-23-15(22)10-2-4-12(5-3-10)16-13(21)8-20-18-14(17-19-20)11-6-7-24-9-11/h2-7,9H,8H2,1H3,(H,16,21).
What are the key properties of methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate?
methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate has a molecular weight of 343.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate is sourced from PubChem (CID 9128050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).