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

C132H103Cl3FN13O23S9 — CID 160606602

IUPAC4-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
SMILESCc1ccc(-c2scc(NC(=O)c3ccccc3)c2C(=O)O)o1.Cc1ccc(C(=O)Nc2csc(-c3cccs3)c2C(=O)O)cc1.Cc1cccc(C(=O)Nc2csc(-c3cc(C)nn3C)c2C(=O)O)c1.Cc1cccc(C(=O)Nc2csc(-c3cnn(-c4ccc(Cl)cc4)c3)c2C(=O)O)c1.Cc1cccc(C(=O)Nc2csc(-c3cnn(-c4ccc(Cl)cc4)c3)c2C(=O)OC(C)(C)C)c1.O=C(Cc1csc(-c2ncco2)c1C(=O)O)c1ccc(F)cc1.O=C(Nc1csc(-c2cccs2)c1C(=O)O)c1ccccc1Cl
InChIInChI=1S/C26H24ClN3O3S.C22H16ClN3O3S.C18H17N3O3S.C17H13NO4S.C17H13NO3S2.C16H10ClNO3S2.C16H10FNO4S/c1-16-6-5-7-17(12-16)24(31)29-21-15-34-23(22(21)25(32)33-26(2,3)4)18-13-28-30(14-18)20-10-8-19(27)9-11-20;1-13-3-2-4-14(9-13)21(27)25-18-12-30-20(19(18)22(28)29)15-10-24-26(11-15)17-7-5-16(23)6-8-17;1-10-5-4-6-12(7-10)17(22)19-13-9-25-16(15(13)18(23)24)14-8-11(2)20-21(14)3;1-10-7-8-13(22-10)15-14(17(20)21)12(9-23-15)18-16(19)11-5-3-2-4-6-11;1-10-4-6-11(7-5-10)16(19)18-12-9-23-15(14(12)17(20)21)13-3-2-8-22-13;17-10-5-2-1-4-9(10)15(19)18-11-8-23-14(13(11)16(20)21)12-6-3-7-22-12;17-11-3-1-9(2-4-11)12(19)7-10-8-23-14(13(10)16(20)21)15-18-5-6-22-15/h5-15H,1-4H3,(H,29,31);2-12H,1H3,(H,25,27)(H,28,29);4-9H,1-3H3,(H,19,22)(H,23,24);2*2-9H,1H3,(H,18,19)(H,20,21);1-8H,(H,18,19)(H,20,21);1-6,8H,7H2,(H,20,21)
InChIKeyREYJRQUPEYBMLH-UHFFFAOYSA-N
MW2653.30 g/mol
LogP33.75
Rot. Bonds31

About 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

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 (PubChem CID 160606602) has the molecular formula C132H103Cl3FN13O23S9 and a molecular weight of 2653.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID160606602
Molecular FormulaC132H103Cl3FN13O23S9
Molecular Weight2653.30 g/mol
Exact Mass2649.38
IUPAC Name4-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
SMILESCc1ccc(-c2scc(NC(=O)c3ccccc3)c2C(=O)O)o1.Cc1ccc(C(=O)Nc2csc(-c3cccs3)c2C(=O)O)cc1.Cc1cccc(C(=O)Nc2csc(-c3cc(C)nn3C)c2C(=O)O)c1.Cc1cccc(C(=O)Nc2csc(-c3cnn(-c4ccc(Cl)cc4)c3)c2C(=O)O)c1.Cc1cccc(C(=O)Nc2csc(-c3cnn(-c4ccc(Cl)cc4)c3)c2C(=O)OC(C)(C)C)c1.O=C(Cc1csc(-c2ncco2)c1C(=O)O)c1ccc(F)cc1.O=C(Nc1csc(-c2cccs2)c1C(=O)O)c1ccccc1Cl
InChIInChI=1S/C26H24ClN3O3S.C22H16ClN3O3S.C18H17N3O3S.C17H13NO4S.C17H13NO3S2.C16H10ClNO3S2.C16H10FNO4S/c1-16-6-5-7-17(12-16)24(31)29-21-15-34-23(22(21)25(32)33-26(2,3)4)18-13-28-30(14-18)20-10-8-19(27)9-11-20;1-13-3-2-4-14(9-13)21(27)25-18-12-30-20(19(18)22(28)29)15-10-24-26(11-15)17-7-5-16(23)6-8-17;1-10-5-4-6-12(7-10)17(22)19-13-9-25-16(15(13)18(23)24)14-8-11(2)20-21(14)3;1-10-7-8-13(22-10)15-14(17(20)21)12(9-23-15)18-16(19)11-5-3-2-4-6-11;1-10-4-6-11(7-5-10)16(19)18-12-9-23-15(14(12)17(20)21)13-3-2-8-22-13;17-10-5-2-1-4-9(10)15(19)18-11-8-23-14(13(11)16(20)21)12-6-3-7-22-12;17-11-3-1-9(2-4-11)12(19)7-10-8-23-14(13(10)16(20)21)15-18-5-6-22-15/h5-15H,1-4H3,(H,29,31);2-12H,1H3,(H,25,27)(H,28,29);4-9H,1-3H3,(H,19,22)(H,23,24);2*2-9H,1H3,(H,18,19)(H,20,21);1-8H,(H,18,19)(H,20,21);1-6,8H,7H2,(H,20,21)
InChIKeyREYJRQUPEYBMLH-UHFFFAOYSA-N
XLogP33.75
TPSA534.40 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds31
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002653.30
LogP ≤ 533.75
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Analyze 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 with MolForge

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Related Compounds

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
2-[1-(4-Chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid
CID 159982219
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
2-(4-chlorophenyl)-4-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-phenyl-1H-pyrazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-[1-(1,5-dimethylpyrazol-3-yl)ethenylamino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
CID 157629252
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-[2-(4-chlorophenyl)-2H-imidazol-4-yl]-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-thiophen-2-ylthiophene-3-carboxylic acid;2-(3,5-dimethyl-1-phenylpyrazol-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 160400039
4-(4-Chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-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 161438462

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2scc(NC(=O)c3ccccc3)c2C(=O)O)o1.Cc1ccc(C(=O)Nc2csc(-c3cccs3)c2C(=O)O)cc1.Cc1cccc(C(=O)Nc2csc(-c3cc(C)nn3C)c2C(=O)O)c1.Cc1cccc(C(=O)Nc2csc(-c3cnn(-c4ccc(Cl)cc4)c3)c2C(=O)O)c1.Cc1cccc(C(=O)Nc2csc(-c3cnn(-c4ccc(Cl)cc4)c3)c2C(=O)OC(C)(C)C)c1.O=C(Cc1csc(-c2ncco2)c1C(=O)O)c1ccc(F)cc1.O=C(Nc1csc(-c2cccs2)c1C(=O)O)c1ccccc1Cl.
What is the InChIKey of 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?
The InChIKey is REYJRQUPEYBMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3S.C22H16ClN3O3S.C18H17N3O3S.C17H13NO4S.C17H13NO3S2.C16H10ClNO3S2.C16H10FNO4S/c1-16-6-5-7-17(12-16)24(31)29-21-15-34-23(22(21)25(32)33-26(2,3)4)18-13-28-30(14-18)20-10-8-19(27)9-11-20;1-13-3-2-4-14(9-13)21(27)25-18-12-30-20(19(18)22(28)29)15-10-24-26(11-15)17-7-5-16(23)6-8-17;1-10-5-4-6-12(7-10)17(22)19-13-9-25-16(15(13)18(23)24)14-8-11(2)20-21(14)3;1-10-7-8-13(22-10)15-14(17(20)21)12(9-23-15)18-16(19)11-5-3-2-4-6-11;1-10-4-6-11(7-5-10)16(19)18-12-9-23-15(14(12)17(20)21)13-3-2-8-22-13;17-10-5-2-1-4-9(10)15(19)18-11-8-23-14(13(11)16(20)21)12-6-3-7-22-12;17-11-3-1-9(2-4-11)12(19)7-10-8-23-14(13(10)16(20)21)15-18-5-6-22-15/h5-15H,1-4H3,(H,29,31);2-12H,1H3,(H,25,27)(H,28,29);4-9H,1-3H3,(H,19,22)(H,23,24);2*2-9H,1H3,(H,18,19)(H,20,21);1-8H,(H,18,19)(H,20,21);1-6,8H,7H2,(H,20,21).
What are the key properties of 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?
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 has a molecular weight of 2653.30 g/mol, XLogP of 33.75, 31 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160606602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).