4-benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid

C164H120Br2Cl8N18O29S9 — CID 157270102

IUPAC4-benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
SMILESCC(C)(C)OC(=O)c1c(NC(=O)c2cnccn2)csc1-c1ccc(Br)cc1.COc1ccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)c(OC)n1.Cc1ccc(C(=O)Cc2csc(-c3ccc(Cl)cc3)c2C(=O)O)nn1.Cc1ccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)c(Cl)n1.Cc1cnc(C(=O)Cc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cn1.Cc1cnc(C(=O)Cc2csc(-c3ccc(Cl)cc3)c2C(=O)O)nc1.Cc1ncc(C(=O)Cc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cn1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cccnc1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccccc1
InChIInChI=1S/C20H18BrN3O3S.C19H15ClN2O5S.C18H12Cl2N2O3S.4C18H13ClN2O3S.C18H12ClNO3S.C17H11BrN2O3S/c1-20(2,3)27-19(26)16-15(24-18(25)14-10-22-8-9-23-14)11-28-17(16)12-4-6-13(21)7-5-12;1-26-14-8-7-12(18(22-14)27-2)17(23)21-13-9-28-16(15(13)19(24)25)10-3-5-11(20)6-4-10;1-9-2-7-12(16(20)21-9)17(23)22-13-8-26-15(14(13)18(24)25)10-3-5-11(19)6-4-10;1-10-2-7-14(21-20-10)15(22)8-12-9-25-17(16(12)18(23)24)11-3-5-13(19)6-4-11;1-10-20-7-13(8-21-10)15(22)6-12-9-25-17(16(12)18(23)24)11-2-4-14(19)5-3-11;1-10-7-21-14(8-20-10)15(22)6-12-9-25-17(16(12)18(23)24)11-2-4-13(19)5-3-11;1-10-7-20-17(21-8-10)14(22)6-12-9-25-16(15(12)18(23)24)11-2-4-13(19)5-3-11;19-13-8-6-11(7-9-13)16-15(18(22)23)14(10-24-16)20-17(21)12-4-2-1-3-5-12;18-12-5-3-10(4-6-12)15-14(17(22)23)13(9-24-15)20-16(21)11-2-1-7-19-8-11/h4-11H,1-3H3,(H,24,25);3-9H,1-2H3,(H,21,23)(H,24,25);2-8H,1H3,(H,22,23)(H,24,25);2-7,9H,8H2,1H3,(H,23,24);3*2-5,7-9H,6H2,1H3,(H,23,24);1-10H,(H,20,21)(H,22,23);1-9H,(H,20,21)(H,22,23)
InChIKeyAYKYEFTUNBWOED-UHFFFAOYSA-N
MW3538.90 g/mol
LogP41.69
Rot. Bonds42

About 4-benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid

4-benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid (PubChem CID 157270102) has the molecular formula C164H120Br2Cl8N18O29S9 and a molecular weight of 3538.90 g/mol. Its IUPAC name is 4-benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
PubChem CID157270102
Molecular FormulaC164H120Br2Cl8N18O29S9
Molecular Weight3538.90 g/mol
Exact Mass3530.18
IUPAC Name4-benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
SMILESCC(C)(C)OC(=O)c1c(NC(=O)c2cnccn2)csc1-c1ccc(Br)cc1.COc1ccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)c(OC)n1.Cc1ccc(C(=O)Cc2csc(-c3ccc(Cl)cc3)c2C(=O)O)nn1.Cc1ccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)c(Cl)n1.Cc1cnc(C(=O)Cc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cn1.Cc1cnc(C(=O)Cc2csc(-c3ccc(Cl)cc3)c2C(=O)O)nc1.Cc1ncc(C(=O)Cc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cn1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cccnc1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccccc1
InChIInChI=1S/C20H18BrN3O3S.C19H15ClN2O5S.C18H12Cl2N2O3S.4C18H13ClN2O3S.C18H12ClNO3S.C17H11BrN2O3S/c1-20(2,3)27-19(26)16-15(24-18(25)14-10-22-8-9-23-14)11-28-17(16)12-4-6-13(21)7-5-12;1-26-14-8-7-12(18(22-14)27-2)17(23)21-13-9-28-16(15(13)19(24)25)10-3-5-11(20)6-4-10;1-9-2-7-12(16(20)21-9)17(23)22-13-8-26-15(14(13)18(24)25)10-3-5-11(19)6-4-10;1-10-2-7-14(21-20-10)15(22)8-12-9-25-17(16(12)18(23)24)11-3-5-13(19)6-4-11;1-10-20-7-13(8-21-10)15(22)6-12-9-25-17(16(12)18(23)24)11-2-4-14(19)5-3-11;1-10-7-21-14(8-20-10)15(22)6-12-9-25-17(16(12)18(23)24)11-2-4-13(19)5-3-11;1-10-7-20-17(21-8-10)14(22)6-12-9-25-16(15(12)18(23)24)11-2-4-13(19)5-3-11;19-13-8-6-11(7-9-13)16-15(18(22)23)14(10-24-16)20-17(21)12-4-2-1-3-5-12;18-12-5-3-10(4-6-12)15-14(17(22)23)13(9-24-15)20-16(21)11-2-1-7-19-8-11/h4-11H,1-3H3,(H,24,25);3-9H,1-2H3,(H,21,23)(H,24,25);2-8H,1H3,(H,22,23)(H,24,25);2-7,9H,8H2,1H3,(H,23,24);3*2-5,7-9H,6H2,1H3,(H,23,24);1-10H,(H,20,21)(H,22,23);1-9H,(H,20,21)(H,22,23)
InChIKeyAYKYEFTUNBWOED-UHFFFAOYSA-N
XLogP41.69
TPSA724.51 Ų
H-Bond Donors13
H-Bond Acceptors43
Rotatable Bonds42
Heavy Atoms230
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003538.90
LogP ≤ 541.69
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The IUPAC name of 4-benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid (CID 157270102) is 4-benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The canonical SMILES for 4-benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid is CC(C)(C)OC(=O)c1c(NC(=O)c2cnccn2)csc1-c1ccc(Br)cc1.COc1ccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)c(OC)n1.Cc1ccc(C(=O)Cc2csc(-c3ccc(Cl)cc3)c2C(=O)O)nn1.Cc1ccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)c(Cl)n1.Cc1cnc(C(=O)Cc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cn1.Cc1cnc(C(=O)Cc2csc(-c3ccc(Cl)cc3)c2C(=O)O)nc1.Cc1ncc(C(=O)Cc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cn1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cccnc1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccccc1.
What is the InChIKey of 4-benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The InChIKey is AYKYEFTUNBWOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O3S.C19H15ClN2O5S.C18H12Cl2N2O3S.4C18H13ClN2O3S.C18H12ClNO3S.C17H11BrN2O3S/c1-20(2,3)27-19(26)16-15(24-18(25)14-10-22-8-9-23-14)11-28-17(16)12-4-6-13(21)7-5-12;1-26-14-8-7-12(18(22-14)27-2)17(23)21-13-9-28-16(15(13)19(24)25)10-3-5-11(20)6-4-10;1-9-2-7-12(16(20)21-9)17(23)22-13-8-26-15(14(13)18(24)25)10-3-5-11(19)6-4-10;1-10-2-7-14(21-20-10)15(22)8-12-9-25-17(16(12)18(23)24)11-3-5-13(19)6-4-11;1-10-20-7-13(8-21-10)15(22)6-12-9-25-17(16(12)18(23)24)11-2-4-14(19)5-3-11;1-10-7-21-14(8-20-10)15(22)6-12-9-25-17(16(12)18(23)24)11-2-4-13(19)5-3-11;1-10-7-20-17(21-8-10)14(22)6-12-9-25-16(15(12)18(23)24)11-2-4-13(19)5-3-11;19-13-8-6-11(7-9-13)16-15(18(22)23)14(10-24-16)20-17(21)12-4-2-1-3-5-12;18-12-5-3-10(4-6-12)15-14(17(22)23)13(9-24-15)20-16(21)11-2-1-7-19-8-11/h4-11H,1-3H3,(H,24,25);3-9H,1-2H3,(H,21,23)(H,24,25);2-8H,1H3,(H,22,23)(H,24,25);2-7,9H,8H2,1H3,(H,23,24);3*2-5,7-9H,6H2,1H3,(H,23,24);1-10H,(H,20,21)(H,22,23);1-9H,(H,20,21)(H,22,23).
What are the key properties of 4-benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
4-benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid has a molecular weight of 3538.90 g/mol, XLogP of 41.69, 42 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 157270102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).