methyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-3-carboxylate

C17H17N5O3S — CID 7634137

IUPACmethyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cn2nnc(-c3ccccc3)n2)sc(C)c1C
InChIInChI=1S/C17H17N5O3S/c1-10-11(2)26-16(14(10)17(24)25-3)18-13(23)9-22-20-15(19-21-22)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,18,23)
InChIKeyBFMXHRAMCMVVAR-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.44
Rot. Bonds5

About methyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-3-carboxylate

methyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 7634137) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is methyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID7634137
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Namemethyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cn2nnc(-c3ccccc3)n2)sc(C)c1C
InChIInChI=1S/C17H17N5O3S/c1-10-11(2)26-16(14(10)17(24)25-3)18-13(23)9-22-20-15(19-21-22)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,18,23)
InChIKeyBFMXHRAMCMVVAR-UHFFFAOYSA-N
XLogP2.44
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 9419839
ethyl 2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 55312007
2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 8552837
methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 62113370
ethyl 2-[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-3-oxo-5,6-diphenylpyridazine-4-carboxylate
CID 20999291
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]acetamide
CID 1169410
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
N-(2,6-diethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508168
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
methyl 2-[[2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7152360
methyl 4,5-dimethyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate
CID 6468834

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-3-carboxylate (CID 7634137) is methyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)Cn2nnc(-c3ccccc3)n2)sc(C)c1C.
What is the InChIKey of methyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is BFMXHRAMCMVVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-10-11(2)26-16(14(10)17(24)25-3)18-13(23)9-22-20-15(19-21-22)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,18,23).
What are the key properties of methyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-3-carboxylate?
methyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 371.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 7634137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).