ethyl 4-(5-methylfuran-2-yl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate

C21H19N5O4S2 — CID 2621130

IUPACethyl 4-(5-methylfuran-2-yl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C21H19N5O4S2/c1-3-29-20(28)18-15(16-10-9-13(2)30-16)11-31-19(18)22-17(27)12-32-21-23-24-25-26(21)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,22,27)
InChIKeyMOINIBIZINWBIH-UHFFFAOYSA-N
MW469.55 g/mol
LogP4.20
Rot. Bonds8

About ethyl 4-(5-methylfuran-2-yl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate

ethyl 4-(5-methylfuran-2-yl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate (PubChem CID 2621130) has the molecular formula C21H19N5O4S2 and a molecular weight of 469.55 g/mol. Its IUPAC name is ethyl 4-(5-methylfuran-2-yl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-methylfuran-2-yl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
PubChem CID2621130
Molecular FormulaC21H19N5O4S2
Molecular Weight469.55 g/mol
Exact Mass469.09
IUPAC Nameethyl 4-(5-methylfuran-2-yl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C21H19N5O4S2/c1-3-29-20(28)18-15(16-10-9-13(2)30-16)11-31-19(18)22-17(27)12-32-21-23-24-25-26(21)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,22,27)
InChIKeyMOINIBIZINWBIH-UHFFFAOYSA-N
XLogP4.20
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 4-(5-methylfuran-2-yl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[({[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
CID 2238453
4-(5-methyl-2-furanyl)-2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester
CID 2214830
Ethyl 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 2488755
Ethyl 4-(4-fluorophenyl)-2-[[2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate
CID 3680203
methyl 2-[[2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1761502
Ethyl 2-[[2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
CID 1761529
Ethyl 4,5-dimethyl-2-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate
CID 1761596
Ethyl 2-[[2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
CID 2239047
methyl 5-phenyl-2-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)thiophene-3-carboxylate
CID 2239091
ethyl 4-(4-isopropylphenyl)-2-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)thiophene-3-carboxylate
CID 2241058
ethyl 4-(4-methylphenyl)-2-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}thiophene-3-carboxylate
CID 2323716
Ethyl 4-(5-methylfuran-2-yl)-2-[[2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 3487813

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-methylfuran-2-yl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(5-methylfuran-2-yl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate (CID 2621130) is ethyl 4-(5-methylfuran-2-yl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(5-methylfuran-2-yl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(5-methylfuran-2-yl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1nnnn1-c1ccccc1.
What is the InChIKey of ethyl 4-(5-methylfuran-2-yl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate?
The InChIKey is MOINIBIZINWBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S2/c1-3-29-20(28)18-15(16-10-9-13(2)30-16)11-31-19(18)22-17(27)12-32-21-23-24-25-26(21)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,22,27).
What are the key properties of ethyl 4-(5-methylfuran-2-yl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate?
ethyl 4-(5-methylfuran-2-yl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate has a molecular weight of 469.55 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-methylfuran-2-yl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 2621130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).