4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;methane

C68H59ClN8O12S3 — CID 157211241

IUPAC4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;methane
SMILESC.C.CCn1ccc(-c2scc(N(C(=O)CCc3ccccc3)C(=O)CCc3ccccc3)c2C(=O)O)n1.O=C(Cc1csc(-c2ccoc2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1csc(-c2cnn(-c3ccc(Cl)cc3)c2)c1C(=O)O)c1cncnc1
InChIInChI=1S/C28H27N3O4S.C19H12ClN5O3S.C19H12O5S.2CH4/c1-2-30-18-17-22(29-30)27-26(28(34)35)23(19-36-27)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)17-16(19(27)28)15(9-29-17)24-18(26)11-5-21-10-22-6-11;20-14(16-8-11-3-1-2-4-15(11)24-16)7-13-10-25-18(17(13)19(21)22)12-5-6-23-9-12;;/h3-12,17-19H,2,13-16H2,1H3,(H,34,35);1-10H,(H,24,26)(H,27,28);1-6,8-10H,7H2,(H,21,22);2*1H4
InChIKeyARXJFGFZOKPBDQ-UHFFFAOYSA-N
MW1311.92 g/mol
LogP15.60
Rot. Bonds20

About 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;methane

4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;methane (PubChem CID 157211241) has the molecular formula C68H59ClN8O12S3 and a molecular weight of 1311.92 g/mol. Its IUPAC name is 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;methane.

Molecular Properties

Compound Name4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;methane
PubChem CID157211241
Molecular FormulaC68H59ClN8O12S3
Molecular Weight1311.92 g/mol
Exact Mass1310.31
IUPAC Name4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;methane
SMILESC.C.CCn1ccc(-c2scc(N(C(=O)CCc3ccccc3)C(=O)CCc3ccccc3)c2C(=O)O)n1.O=C(Cc1csc(-c2ccoc2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1csc(-c2cnn(-c3ccc(Cl)cc3)c2)c1C(=O)O)c1cncnc1
InChIInChI=1S/C28H27N3O4S.C19H12ClN5O3S.C19H12O5S.2CH4/c1-2-30-18-17-22(29-30)27-26(28(34)35)23(19-36-27)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)17-16(19(27)28)15(9-29-17)24-18(26)11-5-21-10-22-6-11;20-14(16-8-11-3-1-2-4-15(11)24-16)7-13-10-25-18(17(13)19(21)22)12-5-6-23-9-12;;/h3-12,17-19H,2,13-16H2,1H3,(H,34,35);1-10H,(H,24,26)(H,27,28);1-6,8-10H,7H2,(H,21,22);2*1H4
InChIKeyARXJFGFZOKPBDQ-UHFFFAOYSA-N
XLogP15.60
TPSA283.15 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001311.92
LogP ≤ 515.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-Benzofuran-2-carbonylamino)-2-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid
CID 158008823
4-[2-(1-Benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
CID 158737459
2-(1-Benzofuran-2-carbonylamino)-4-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid
CID 158854087
4-(4-Chlorophenyl)-2-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 160898630
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
2-[2-(1-Benzofuran-2-yl)-2-oxoethyl]-4-(furan-3-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-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 161812489
2-(1-Benzofuran-2-carbonylamino)-4-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-[(1-methylimidazole-4-carbonyl)amino]-4-pyrazin-2-ylthiophene-3-carboxylic acid;4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-pyrazin-2-yl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid
CID 161899141
4-(1-Benzofuran-2-carbonylamino)-2-(6-ethoxy-3-pyridinyl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;2-pyrazin-2-yl-4-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid
CID 161923785
2-[1-(4-Acetylphenyl)tetrazol-5-yl]sulfanyl-1-pyridin-4-ylethanone;4-[5-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid;4-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid;4-[5-(2-oxo-2-pyridazin-4-ylethyl)sulfanyltetrazol-1-yl]benzoic acid;4-[5-(2-oxo-2-pyrimidin-4-ylethyl)sulfanyltetrazol-1-yl]benzoic acid
CID 163517588

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;methane?
The IUPAC name of 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;methane (CID 157211241) is 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;methane.
What is the SMILES notation for 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;methane?
The canonical SMILES for 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;methane is C.C.CCn1ccc(-c2scc(N(C(=O)CCc3ccccc3)C(=O)CCc3ccccc3)c2C(=O)O)n1.O=C(Cc1csc(-c2ccoc2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1csc(-c2cnn(-c3ccc(Cl)cc3)c2)c1C(=O)O)c1cncnc1.
What is the InChIKey of 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;methane?
The InChIKey is ARXJFGFZOKPBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4S.C19H12ClN5O3S.C19H12O5S.2CH4/c1-2-30-18-17-22(29-30)27-26(28(34)35)23(19-36-27)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)17-16(19(27)28)15(9-29-17)24-18(26)11-5-21-10-22-6-11;20-14(16-8-11-3-1-2-4-15(11)24-16)7-13-10-25-18(17(13)19(21)22)12-5-6-23-9-12;;/h3-12,17-19H,2,13-16H2,1H3,(H,34,35);1-10H,(H,24,26)(H,27,28);1-6,8-10H,7H2,(H,21,22);2*1H4.
What are the key properties of 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;methane?
4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;methane has a molecular weight of 1311.92 g/mol, XLogP of 15.60, 20 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[bis(3-phenylpropanoyl)amino]-2-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;methane is sourced from PubChem (CID 157211241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).