About 2-(1-benzofuran-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-[bis(3-phenylpropanoyl)amino]-4-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
2-(1-benzofuran-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-[bis(3-phenylpropanoyl)amino]-4-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 161497188) has the molecular formula C82H60ClN11O17S4
and a molecular weight of 1635.16 g/mol. Its IUPAC name is 2-(1-benzofuran-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-[bis(3-phenylpropanoyl)amino]-4-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid.
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Frequently Asked Questions
What is the IUPAC name of 2-(1-benzofuran-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-[bis(3-phenylpropanoyl)amino]-4-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(1-benzofuran-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-[bis(3-phenylpropanoyl)amino]-4-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid (CID 161497188) is 2-(1-benzofuran-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-[bis(3-phenylpropanoyl)amino]-4-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(1-benzofuran-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-[bis(3-phenylpropanoyl)amino]-4-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(1-benzofuran-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-[bis(3-phenylpropanoyl)amino]-4-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid is CCn1ccc(-c2csc(N(C(=O)CCc3ccccc3)C(=O)CCc3ccccc3)c2C(=O)O)n1.O=C(Nc1scc(-c2ccoc2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2ccoc2)c1C(=O)O)c1nc2ccccc2o1.O=C(Nc1scc(-c2cnn(-c3ccc(Cl)cc3)c2)c1C(=O)O)c1cncnc1.
What is the InChIKey of 2-(1-benzofuran-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-[bis(3-phenylpropanoyl)amino]-4-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid?
The InChIKey is WGJDJFSNYHUYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4S.C19H12ClN5O3S.C18H11NO5S.C17H10N2O5S/c1-2-30-18-17-23(29-30)22-19-36-27(26(22)28(34)35)31(24(32)15-13-20-9-5-3-6-10-20)25(33)16-14-21-11-7-4-8-12-21;20-13-1-3-14(4-2-13)25-8-12(7-23-25)15-9-29-18(16(15)19(27)28)24-17(26)11-5-21-10-22-6-11;20-16(14-7-10-3-1-2-4-13(10)24-14)19-17-15(18(21)22)12(9-25-17)11-5-6-23-8-11;20-14(15-18-11-3-1-2-4-12(11)24-15)19-16-13(17(21)22)10(8-25-16)9-5-6-23-7-9/h3-12,17-19H,2,13-16H2,1H3,(H,34,35);1-10H,(H,24,26)(H,27,28);1-9H,(H,19,20)(H,21,22);1-8H,(H,19,20)(H,21,22).
What are the key properties of 2-(1-benzofuran-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-[bis(3-phenylpropanoyl)amino]-4-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid?
2-(1-benzofuran-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-[bis(3-phenylpropanoyl)amino]-4-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 1635.16 g/mol, XLogP of 18.25, 23 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(furan-3-yl)thiophene-3-carboxylic acid;2-[bis(3-phenylpropanoyl)amino]-4-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 161497188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).