2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,4-difluoro-3-methoxyphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-fluoro-4-methylsulfonylphenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid

C141H85Br2ClF6N12O33S8 — CID 158024816

IUPAC2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,4-difluoro-3-methoxyphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-fluoro-4-methylsulfonylphenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid
SMILESCOc1c(F)ccc(-c2csc(NC(=O)c3nc4ccccc4o3)c2C(=O)O)c1F.CS(=O)(=O)c1ccc(-c2csc(CC(=O)c3nc4ccccc4o3)c2C(=O)O)c(F)c1.Cc1ccc(-c2csc(CC(=O)c3nc4ccccc4o3)c2C(=O)O)cc1C.O=C(Nc1scc(-c2cc3cccc(O)c3o2)c1C(=O)O)c1nc2cccc(F)c2o1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1nc2c(F)cccc2o1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1nc2ccccc2o1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2c(F)cccc2o1
InChIInChI=1S/C22H17NO4S.C21H11FN2O6S.C21H14FNO6S2.C20H12F2N2O5S.C19H10BrFN2O4S.C19H11BrN2O4S.C19H10ClFN2O4S/c1-12-7-8-14(9-13(12)2)15-11-28-19(20(15)22(25)26)10-17(24)21-23-16-5-3-4-6-18(16)27-21;22-11-4-2-5-12-17(11)30-19(23-12)18(26)24-20-15(21(27)28)10(8-31-20)14-7-9-3-1-6-13(25)16(9)29-14;1-31(27,28)11-6-7-12(14(22)8-11)13-10-30-18(19(13)21(25)26)9-16(24)20-23-15-4-2-3-5-17(15)29-20;1-28-16-11(21)7-6-9(15(16)22)10-8-30-19(14(10)20(26)27)24-17(25)18-23-12-4-2-3-5-13(12)29-18;20-10-6-4-9(5-7-10)11-8-28-18(14(11)19(25)26)23-16(24)17-22-15-12(21)2-1-3-13(15)27-17;20-11-7-5-10(6-8-11)12-9-27-18(15(12)19(24)25)22-16(23)17-21-13-3-1-2-4-14(13)26-17;20-10-6-4-9(5-7-10)11-8-28-18(14(11)19(25)26)23-16(24)17-22-15-12(21)2-1-3-13(15)27-17/h3-9,11H,10H2,1-2H3,(H,25,26);1-8,25H,(H,24,26)(H,27,28);2-8,10H,9H2,1H3,(H,25,26);2-8H,1H3,(H,24,25)(H,26,27);1-8H,(H,23,24)(H,25,26);1-9H,(H,22,23)(H,24,25);1-8H,(H,23,24)(H,25,26)
InChIKeyFGLZSODCILATGU-UHFFFAOYSA-N
MW3041.07 g/mol
LogP35.39
Rot. Bonds32

About 2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,4-difluoro-3-methoxyphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-fluoro-4-methylsulfonylphenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid

2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,4-difluoro-3-methoxyphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-fluoro-4-methylsulfonylphenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid (PubChem CID 158024816) has the molecular formula C141H85Br2ClF6N12O33S8 and a molecular weight of 3041.07 g/mol. Its IUPAC name is 2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,4-difluoro-3-methoxyphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-fluoro-4-methylsulfonylphenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,4-difluoro-3-methoxyphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-fluoro-4-methylsulfonylphenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid
PubChem CID158024816
Molecular FormulaC141H85Br2ClF6N12O33S8
Molecular Weight3041.07 g/mol
Exact Mass3036.11
IUPAC Name2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,4-difluoro-3-methoxyphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-fluoro-4-methylsulfonylphenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid
SMILESCOc1c(F)ccc(-c2csc(NC(=O)c3nc4ccccc4o3)c2C(=O)O)c1F.CS(=O)(=O)c1ccc(-c2csc(CC(=O)c3nc4ccccc4o3)c2C(=O)O)c(F)c1.Cc1ccc(-c2csc(CC(=O)c3nc4ccccc4o3)c2C(=O)O)cc1C.O=C(Nc1scc(-c2cc3cccc(O)c3o2)c1C(=O)O)c1nc2cccc(F)c2o1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1nc2c(F)cccc2o1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1nc2ccccc2o1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2c(F)cccc2o1
InChIInChI=1S/C22H17NO4S.C21H11FN2O6S.C21H14FNO6S2.C20H12F2N2O5S.C19H10BrFN2O4S.C19H11BrN2O4S.C19H10ClFN2O4S/c1-12-7-8-14(9-13(12)2)15-11-28-19(20(15)22(25)26)10-17(24)21-23-16-5-3-4-6-18(16)27-21;22-11-4-2-5-12-17(11)30-19(23-12)18(26)24-20-15(21(27)28)10(8-31-20)14-7-9-3-1-6-13(25)16(9)29-14;1-31(27,28)11-6-7-12(14(22)8-11)13-10-30-18(19(13)21(25)26)9-16(24)20-23-15-4-2-3-5-17(15)29-20;1-28-16-11(21)7-6-9(15(16)22)10-8-30-19(14(10)20(26)27)24-17(25)18-23-12-4-2-3-5-13(12)29-18;20-10-6-4-9(5-7-10)11-8-28-18(14(11)19(25)26)23-16(24)17-22-15-12(21)2-1-3-13(15)27-17;20-11-7-5-10(6-8-11)12-9-27-18(15(12)19(24)25)22-16(23)17-21-13-3-1-2-4-14(13)26-17;20-10-6-4-9(5-7-10)11-8-28-18(14(11)19(25)26)23-16(24)17-22-15-12(21)2-1-3-13(15)27-17/h3-9,11H,10H2,1-2H3,(H,25,26);1-8,25H,(H,24,26)(H,27,28);2-8,10H,9H2,1H3,(H,25,26);2-8H,1H3,(H,24,25)(H,26,27);1-8H,(H,23,24)(H,25,26);1-9H,(H,22,23)(H,24,25);1-8H,(H,23,24)(H,25,26)
InChIKeyFGLZSODCILATGU-UHFFFAOYSA-N
XLogP35.39
TPSA699.69 Ų
H-Bond Donors13
H-Bond Acceptors40
Rotatable Bonds32
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003041.07
LogP ≤ 535.39
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Analyze 2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,4-difluoro-3-methoxyphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-fluoro-4-methylsulfonylphenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,4-difluoro-3-methoxyphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-fluoro-4-methylsulfonylphenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,4-difluoro-3-methoxyphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-fluoro-4-methylsulfonylphenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid (CID 158024816) is 2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,4-difluoro-3-methoxyphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-fluoro-4-methylsulfonylphenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,4-difluoro-3-methoxyphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-fluoro-4-methylsulfonylphenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,4-difluoro-3-methoxyphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-fluoro-4-methylsulfonylphenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid is COc1c(F)ccc(-c2csc(NC(=O)c3nc4ccccc4o3)c2C(=O)O)c1F.CS(=O)(=O)c1ccc(-c2csc(CC(=O)c3nc4ccccc4o3)c2C(=O)O)c(F)c1.Cc1ccc(-c2csc(CC(=O)c3nc4ccccc4o3)c2C(=O)O)cc1C.O=C(Nc1scc(-c2cc3cccc(O)c3o2)c1C(=O)O)c1nc2cccc(F)c2o1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1nc2c(F)cccc2o1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1nc2ccccc2o1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2c(F)cccc2o1.
What is the InChIKey of 2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,4-difluoro-3-methoxyphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-fluoro-4-methylsulfonylphenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid?
The InChIKey is FGLZSODCILATGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4S.C21H11FN2O6S.C21H14FNO6S2.C20H12F2N2O5S.C19H10BrFN2O4S.C19H11BrN2O4S.C19H10ClFN2O4S/c1-12-7-8-14(9-13(12)2)15-11-28-19(20(15)22(25)26)10-17(24)21-23-16-5-3-4-6-18(16)27-21;22-11-4-2-5-12-17(11)30-19(23-12)18(26)24-20-15(21(27)28)10(8-31-20)14-7-9-3-1-6-13(25)16(9)29-14;1-31(27,28)11-6-7-12(14(22)8-11)13-10-30-18(19(13)21(25)26)9-16(24)20-23-15-4-2-3-5-17(15)29-20;1-28-16-11(21)7-6-9(15(16)22)10-8-30-19(14(10)20(26)27)24-17(25)18-23-12-4-2-3-5-13(12)29-18;20-10-6-4-9(5-7-10)11-8-28-18(14(11)19(25)26)23-16(24)17-22-15-12(21)2-1-3-13(15)27-17;20-11-7-5-10(6-8-11)12-9-27-18(15(12)19(24)25)22-16(23)17-21-13-3-1-2-4-14(13)26-17;20-10-6-4-9(5-7-10)11-8-28-18(14(11)19(25)26)23-16(24)17-22-15-12(21)2-1-3-13(15)27-17/h3-9,11H,10H2,1-2H3,(H,25,26);1-8,25H,(H,24,26)(H,27,28);2-8,10H,9H2,1H3,(H,25,26);2-8H,1H3,(H,24,25)(H,26,27);1-8H,(H,23,24)(H,25,26);1-9H,(H,22,23)(H,24,25);1-8H,(H,23,24)(H,25,26).
What are the key properties of 2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,4-difluoro-3-methoxyphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-fluoro-4-methylsulfonylphenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid?
2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,4-difluoro-3-methoxyphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-fluoro-4-methylsulfonylphenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid has a molecular weight of 3041.07 g/mol, XLogP of 35.39, 32 rotatable bonds, 13 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,4-difluoro-3-methoxyphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2-fluoro-4-methylsulfonylphenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 158024816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).