4-(1-benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid

C152H99BrCl3F3N12O32S13 — CID 157283074

IUPAC4-(1-benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid
SMILESCc1ccc(-c2scc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)s1.Cc1csc(-c2scc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)n1.Cc1nc(C)c(-c2scc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)s1.Cn1nc(C(F)(F)F)cc1-c1scc(CC(=O)c2cc3ccccc3o2)c1C(=O)O.Cn1ncc(C(=O)Nc2csc(-c3cnn(-c4ccc(Cl)cc4)c3)c2C(=O)O)c1Cl.O=C(Cc1csc(-c2ccoc2)c1C(=O)O)c1nc2ccccc2o1.O=C(Nc1csc(-c2ccc(Br)s2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1csc(-c2ccc(Cl)s2)c1C(=O)O)c1cc2ccccc2o1
InChIInChI=1S/C20H13F3N2O4S.C20H15NO4S2.C20H14O4S2.C19H13Cl2N5O3S.C19H13NO4S2.C18H10BrNO4S2.C18H10ClNO4S2.C18H11NO5S/c1-25-12(8-16(24-25)20(21,22)23)18-17(19(27)28)11(9-30-18)6-13(26)15-7-10-4-2-3-5-14(10)29-15;1-10-18(27-11(2)21-10)19-17(20(23)24)13(9-26-19)7-14(22)16-8-12-5-3-4-6-15(12)25-16;1-11-6-7-17(26-11)19-18(20(22)23)13(10-25-19)8-14(21)16-9-12-4-2-3-5-15(12)24-16;1-25-17(21)13(7-22-25)18(27)24-14-9-30-16(15(14)19(28)29)10-6-23-26(8-10)12-4-2-11(20)3-5-12;1-10-8-26-18(20-10)17-16(19(22)23)12(9-25-17)6-13(21)15-7-11-4-2-3-5-14(11)24-15;2*19-14-6-5-13(26-14)16-15(18(22)23)10(8-25-16)20-17(21)12-7-9-3-1-2-4-11(9)24-12;20-13(17-19-12-3-1-2-4-14(12)24-17)7-11-9-25-16(15(11)18(21)22)10-5-6-23-8-10/h2-5,7-9H,6H2,1H3,(H,27,28);3-6,8-9H,7H2,1-2H3,(H,23,24);2-7,9-10H,8H2,1H3,(H,22,23);2-9H,1H3,(H,24,27)(H,28,29);2-5,7-9H,6H2,1H3,(H,22,23);2*1-8H,(H,20,21)(H,22,23);1-6,8-9H,7H2,(H,21,22)
InChIKeyAZXDIVBDTIRLRP-UHFFFAOYSA-N
MW3265.64 g/mol
LogP41.73
Rot. Bonds38

About 4-(1-benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid

4-(1-benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid (PubChem CID 157283074) has the molecular formula C152H99BrCl3F3N12O32S13 and a molecular weight of 3265.64 g/mol. Its IUPAC name is 4-(1-benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid
PubChem CID157283074
Molecular FormulaC152H99BrCl3F3N12O32S13
Molecular Weight3265.64 g/mol
Exact Mass3260.11
IUPAC Name4-(1-benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid
SMILESCc1ccc(-c2scc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)s1.Cc1csc(-c2scc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)n1.Cc1nc(C)c(-c2scc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)s1.Cn1nc(C(F)(F)F)cc1-c1scc(CC(=O)c2cc3ccccc3o2)c1C(=O)O.Cn1ncc(C(=O)Nc2csc(-c3cnn(-c4ccc(Cl)cc4)c3)c2C(=O)O)c1Cl.O=C(Cc1csc(-c2ccoc2)c1C(=O)O)c1nc2ccccc2o1.O=C(Nc1csc(-c2ccc(Br)s2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1csc(-c2ccc(Cl)s2)c1C(=O)O)c1cc2ccccc2o1
InChIInChI=1S/C20H13F3N2O4S.C20H15NO4S2.C20H14O4S2.C19H13Cl2N5O3S.C19H13NO4S2.C18H10BrNO4S2.C18H10ClNO4S2.C18H11NO5S/c1-25-12(8-16(24-25)20(21,22)23)18-17(19(27)28)11(9-30-18)6-13(26)15-7-10-4-2-3-5-14(10)29-15;1-10-18(27-11(2)21-10)19-17(20(23)24)13(9-26-19)7-14(22)16-8-12-5-3-4-6-15(12)25-16;1-11-6-7-17(26-11)19-18(20(22)23)13(10-25-19)8-14(21)16-9-12-4-2-3-5-15(12)24-16;1-25-17(21)13(7-22-25)18(27)24-14-9-30-16(15(14)19(28)29)10-6-23-26(8-10)12-4-2-11(20)3-5-12;1-10-8-26-18(20-10)17-16(19(22)23)12(9-25-17)6-13(21)15-7-11-4-2-3-5-14(11)24-15;2*19-14-6-5-13(26-14)16-15(18(22)23)10(8-25-16)20-17(21)12-7-9-3-1-2-4-11(9)24-12;20-13(17-19-12-3-1-2-4-14(12)24-17)7-11-9-25-16(15(11)18(21)22)10-5-6-23-8-10/h2-5,7-9H,6H2,1H3,(H,27,28);3-6,8-9H,7H2,1-2H3,(H,23,24);2-7,9-10H,8H2,1H3,(H,22,23);2-9H,1H3,(H,24,27)(H,28,29);2-5,7-9H,6H2,1H3,(H,22,23);2*1-8H,(H,20,21)(H,22,23);1-6,8-9H,7H2,(H,21,22)
InChIKeyAZXDIVBDTIRLRP-UHFFFAOYSA-N
XLogP41.73
TPSA668.30 Ų
H-Bond Donors11
H-Bond Acceptors46
Rotatable Bonds38
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003265.64
LogP ≤ 541.73
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1046

Analyze 4-(1-benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid with MolForge

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Related Compounds

2-(1-Benzofuran-2-carbonylamino)-4-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-4-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid;4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
CID 157950464
2-(1-Benzofuran-2-carbonylamino)-4-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-4-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]thiophene-3-carboxylic acid;4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
CID 159538904
4-(1-Benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
CID 161503944
2-Benzamido-4-(5-methylfuran-2-yl)thiophene-3-carboxylic acid;tert-butyl 4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylate;2-[(2-chlorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;4-(2,5-dimethylpyrazol-3-yl)-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-[(4-methylbenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid;2-[2-(4-methylphenyl)-2-oxoethyl]-4-(1,3-oxazol-2-yl)thiophene-3-carboxylic acid
CID 157546772
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
4-Benzamido-2-(5-methylfuran-2-yl)thiophene-3-carboxylic acid;tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylate;4-[(2-chlorobenzoyl)amino]-2-thiophen-2-ylthiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;4-[2-(4-fluorophenyl)-2-oxoethyl]-2-(1,3-oxazol-2-yl)thiophene-3-carboxylic acid;4-[(4-methylbenzoyl)amino]-2-thiophen-2-ylthiophene-3-carboxylic acid
CID 160606602
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

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid?
The IUPAC name of 4-(1-benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid (CID 157283074) is 4-(1-benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(1-benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid?
The canonical SMILES for 4-(1-benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid is Cc1ccc(-c2scc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)s1.Cc1csc(-c2scc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)n1.Cc1nc(C)c(-c2scc(CC(=O)c3cc4ccccc4o3)c2C(=O)O)s1.Cn1nc(C(F)(F)F)cc1-c1scc(CC(=O)c2cc3ccccc3o2)c1C(=O)O.Cn1ncc(C(=O)Nc2csc(-c3cnn(-c4ccc(Cl)cc4)c3)c2C(=O)O)c1Cl.O=C(Cc1csc(-c2ccoc2)c1C(=O)O)c1nc2ccccc2o1.O=C(Nc1csc(-c2ccc(Br)s2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1csc(-c2ccc(Cl)s2)c1C(=O)O)c1cc2ccccc2o1.
What is the InChIKey of 4-(1-benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid?
The InChIKey is AZXDIVBDTIRLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O4S.C20H15NO4S2.C20H14O4S2.C19H13Cl2N5O3S.C19H13NO4S2.C18H10BrNO4S2.C18H10ClNO4S2.C18H11NO5S/c1-25-12(8-16(24-25)20(21,22)23)18-17(19(27)28)11(9-30-18)6-13(26)15-7-10-4-2-3-5-14(10)29-15;1-10-18(27-11(2)21-10)19-17(20(23)24)13(9-26-19)7-14(22)16-8-12-5-3-4-6-15(12)25-16;1-11-6-7-17(26-11)19-18(20(22)23)13(10-25-19)8-14(21)16-9-12-4-2-3-5-15(12)24-16;1-25-17(21)13(7-22-25)18(27)24-14-9-30-16(15(14)19(28)29)10-6-23-26(8-10)12-4-2-11(20)3-5-12;1-10-8-26-18(20-10)17-16(19(22)23)12(9-25-17)6-13(21)15-7-11-4-2-3-5-14(11)24-15;2*19-14-6-5-13(26-14)16-15(18(22)23)10(8-25-16)20-17(21)12-7-9-3-1-2-4-11(9)24-12;20-13(17-19-12-3-1-2-4-14(12)24-17)7-11-9-25-16(15(11)18(21)22)10-5-6-23-8-10/h2-5,7-9H,6H2,1H3,(H,27,28);3-6,8-9H,7H2,1-2H3,(H,23,24);2-7,9-10H,8H2,1H3,(H,22,23);2-9H,1H3,(H,24,27)(H,28,29);2-5,7-9H,6H2,1H3,(H,22,23);2*1-8H,(H,20,21)(H,22,23);1-6,8-9H,7H2,(H,21,22).
What are the key properties of 4-(1-benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid?
4-(1-benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid has a molecular weight of 3265.64 g/mol, XLogP of 41.73, 38 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-carbonylamino)-2-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;4-(1-benzofuran-2-carbonylamino)-2-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(furan-3-yl)thiophene-3-carboxylic acid;4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-2-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid is sourced from PubChem (CID 157283074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).