4-(4-bromophenyl)-2-[[3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[[3-(2,6-dichlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-chlorophenyl)-3-cyano-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2,6-dichlorophenyl)-3-fluoro-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-isocyanophenyl)-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-4-phenyl-3-(tetrazol-1-yl)butyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(3-phenylbutanoylamino)thiophene-3-carboxylic acid

C168H121Br2Cl13F4N10O24S8 — CID 161091557

IUPAC4-(4-bromophenyl)-2-[[3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[[3-(2,6-dichlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-chlorophenyl)-3-cyano-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2,6-dichlorophenyl)-3-fluoro-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-isocyanophenyl)-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-4-phenyl-3-(tetrazol-1-yl)butyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(3-phenylbutanoylamino)thiophene-3-carboxylic acid
SMILESCC(CC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccccc1.N#CC(Cc1ccccc1Cl)C(=O)Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O.O=C(O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(F)Cc1c(Cl)cccc1Cl.O=C(O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(F)Cc1ccccc1Cl.O=C(O)c1c(-c2ccc(Cl)cc2)csc1CC(=O)C(Cc1ccccc1)n1cnnn1.O=C(O)c1c(-c2ccc(Cl)cc2)csc1CC(=O)C(F)Cc1c(Cl)cccc1Cl.O=C(O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H](F)Cc1ccccc1Cl.[C-]#[N+]c1ccccc1CCC(=O)Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C22H15Cl2NO3S.C22H17ClN4O3S.C22H16ClNO3S.C21H14Cl3FO3S.C21H18ClNO3S.C20H13BrCl2FNO3S.C20H14BrClFNO3S.C20H14Cl2FNO3S/c23-16-7-5-13(6-8-16)17-12-29-20(21(17)22(27)28)10-19(26)15(11-25)9-14-3-1-2-4-18(14)24;23-16-8-6-15(7-9-16)17-12-31-20(21(17)22(29)30)11-19(28)18(27-13-24-25-26-27)10-14-4-2-1-3-5-14;1-24-19-5-3-2-4-15(19)8-11-17(25)12-20-21(22(26)27)18(13-28-20)14-6-9-16(23)10-7-14;22-12-6-4-11(5-7-12)14-10-29-19(20(14)21(27)28)9-18(26)17(25)8-13-15(23)2-1-3-16(13)24;1-13(14-5-3-2-4-6-14)11-18(24)23-20-19(21(25)26)17(12-27-20)15-7-9-16(22)10-8-15;21-11-6-4-10(5-7-11)13-9-29-19(17(13)20(27)28)25-18(26)16(24)8-12-14(22)2-1-3-15(12)23;2*21-13-7-5-11(6-8-13)14-10-28-19(17(14)20(26)27)24-18(25)16(23)9-12-3-1-2-4-15(12)22/h1-8,12,15H,9-10H2,(H,27,28);1-9,12-13,18H,10-11H2,(H,29,30);2-7,9-10,13H,8,11-12H2,(H,26,27);1-7,10,17H,8-9H2,(H,27,28);2-10,12-13H,11H2,1H3,(H,23,24)(H,25,26);1-7,9,16H,8H2,(H,25,26)(H,27,28);2*1-8,10,16H,9H2,(H,24,25)(H,26,27)/t;;;;;;;16-/m.......0/s1
InChIKeyUHGAMGMYFVRCOP-KHHNONOZSA-N
MW3617.09 g/mol
LogP47.68
Rot. Bonds53

About 4-(4-bromophenyl)-2-[[3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[[3-(2,6-dichlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-chlorophenyl)-3-cyano-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2,6-dichlorophenyl)-3-fluoro-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-isocyanophenyl)-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-4-phenyl-3-(tetrazol-1-yl)butyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(3-phenylbutanoylamino)thiophene-3-carboxylic acid

4-(4-bromophenyl)-2-[[3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[[3-(2,6-dichlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-chlorophenyl)-3-cyano-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2,6-dichlorophenyl)-3-fluoro-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-isocyanophenyl)-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-4-phenyl-3-(tetrazol-1-yl)butyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(3-phenylbutanoylamino)thiophene-3-carboxylic acid (PubChem CID 161091557) has the molecular formula C168H121Br2Cl13F4N10O24S8 and a molecular weight of 3617.09 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[[3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[[3-(2,6-dichlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-chlorophenyl)-3-cyano-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2,6-dichlorophenyl)-3-fluoro-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-isocyanophenyl)-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-4-phenyl-3-(tetrazol-1-yl)butyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(3-phenylbutanoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-[[3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[[3-(2,6-dichlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-chlorophenyl)-3-cyano-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2,6-dichlorophenyl)-3-fluoro-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-isocyanophenyl)-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-4-phenyl-3-(tetrazol-1-yl)butyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(3-phenylbutanoylamino)thiophene-3-carboxylic acid
PubChem CID161091557
Molecular FormulaC168H121Br2Cl13F4N10O24S8
Molecular Weight3617.09 g/mol
Exact Mass3606.06
IUPAC Name4-(4-bromophenyl)-2-[[3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[[3-(2,6-dichlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-chlorophenyl)-3-cyano-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2,6-dichlorophenyl)-3-fluoro-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-isocyanophenyl)-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-4-phenyl-3-(tetrazol-1-yl)butyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(3-phenylbutanoylamino)thiophene-3-carboxylic acid
SMILESCC(CC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccccc1.N#CC(Cc1ccccc1Cl)C(=O)Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O.O=C(O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(F)Cc1c(Cl)cccc1Cl.O=C(O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(F)Cc1ccccc1Cl.O=C(O)c1c(-c2ccc(Cl)cc2)csc1CC(=O)C(Cc1ccccc1)n1cnnn1.O=C(O)c1c(-c2ccc(Cl)cc2)csc1CC(=O)C(F)Cc1c(Cl)cccc1Cl.O=C(O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H](F)Cc1ccccc1Cl.[C-]#[N+]c1ccccc1CCC(=O)Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C22H15Cl2NO3S.C22H17ClN4O3S.C22H16ClNO3S.C21H14Cl3FO3S.C21H18ClNO3S.C20H13BrCl2FNO3S.C20H14BrClFNO3S.C20H14Cl2FNO3S/c23-16-7-5-13(6-8-16)17-12-29-20(21(17)22(27)28)10-19(26)15(11-25)9-14-3-1-2-4-18(14)24;23-16-8-6-15(7-9-16)17-12-31-20(21(17)22(29)30)11-19(28)18(27-13-24-25-26-27)10-14-4-2-1-3-5-14;1-24-19-5-3-2-4-15(19)8-11-17(25)12-20-21(22(26)27)18(13-28-20)14-6-9-16(23)10-7-14;22-12-6-4-11(5-7-12)14-10-29-19(20(14)21(27)28)9-18(26)17(25)8-13-15(23)2-1-3-16(13)24;1-13(14-5-3-2-4-6-14)11-18(24)23-20-19(21(25)26)17(12-27-20)15-7-9-16(22)10-8-15;21-11-6-4-10(5-7-11)13-9-29-19(17(13)20(27)28)25-18(26)16(24)8-12-14(22)2-1-3-15(12)23;2*21-13-7-5-11(6-8-13)14-10-28-19(17(14)20(26)27)24-18(25)16(23)9-12-3-1-2-4-15(12)22/h1-8,12,15H,9-10H2,(H,27,28);1-9,12-13,18H,10-11H2,(H,29,30);2-7,9-10,13H,8,11-12H2,(H,26,27);1-7,10,17H,8-9H2,(H,27,28);2-10,12-13H,11H2,1H3,(H,23,24)(H,25,26);1-7,9,16H,8H2,(H,25,26)(H,27,28);2*1-8,10,16H,9H2,(H,24,25)(H,26,27)/t;;;;;;;16-/m.......0/s1
InChIKeyUHGAMGMYFVRCOP-KHHNONOZSA-N
XLogP47.68
TPSA554.83 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds53
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003617.09
LogP ≤ 547.68
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}, {'alert_name': 'cyano_keto_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-(4-bromophenyl)-2-[[3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[[3-(2,6-dichlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-chlorophenyl)-3-cyano-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2,6-dichlorophenyl)-3-fluoro-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-isocyanophenyl)-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-4-phenyl-3-(tetrazol-1-yl)butyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(3-phenylbutanoylamino)thiophene-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-[[3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[[3-(2,6-dichlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-chlorophenyl)-3-cyano-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2,6-dichlorophenyl)-3-fluoro-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-isocyanophenyl)-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-4-phenyl-3-(tetrazol-1-yl)butyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(3-phenylbutanoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 4-(4-bromophenyl)-2-[[3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[[3-(2,6-dichlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-chlorophenyl)-3-cyano-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2,6-dichlorophenyl)-3-fluoro-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-isocyanophenyl)-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-4-phenyl-3-(tetrazol-1-yl)butyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(3-phenylbutanoylamino)thiophene-3-carboxylic acid (CID 161091557) is 4-(4-bromophenyl)-2-[[3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[[3-(2,6-dichlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-chlorophenyl)-3-cyano-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2,6-dichlorophenyl)-3-fluoro-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-isocyanophenyl)-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-4-phenyl-3-(tetrazol-1-yl)butyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(3-phenylbutanoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(4-bromophenyl)-2-[[3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[[3-(2,6-dichlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-chlorophenyl)-3-cyano-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2,6-dichlorophenyl)-3-fluoro-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-isocyanophenyl)-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-4-phenyl-3-(tetrazol-1-yl)butyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(3-phenylbutanoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(4-bromophenyl)-2-[[3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[[3-(2,6-dichlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-chlorophenyl)-3-cyano-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2,6-dichlorophenyl)-3-fluoro-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-isocyanophenyl)-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-4-phenyl-3-(tetrazol-1-yl)butyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(3-phenylbutanoylamino)thiophene-3-carboxylic acid is CC(CC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccccc1.N#CC(Cc1ccccc1Cl)C(=O)Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O.O=C(O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(F)Cc1c(Cl)cccc1Cl.O=C(O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(F)Cc1ccccc1Cl.O=C(O)c1c(-c2ccc(Cl)cc2)csc1CC(=O)C(Cc1ccccc1)n1cnnn1.O=C(O)c1c(-c2ccc(Cl)cc2)csc1CC(=O)C(F)Cc1c(Cl)cccc1Cl.O=C(O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H](F)Cc1ccccc1Cl.[C-]#[N+]c1ccccc1CCC(=O)Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O.
What is the InChIKey of 4-(4-bromophenyl)-2-[[3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[[3-(2,6-dichlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-chlorophenyl)-3-cyano-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2,6-dichlorophenyl)-3-fluoro-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-isocyanophenyl)-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-4-phenyl-3-(tetrazol-1-yl)butyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(3-phenylbutanoylamino)thiophene-3-carboxylic acid?
The InChIKey is UHGAMGMYFVRCOP-KHHNONOZSA-N. The full InChI is InChI=1S/C22H15Cl2NO3S.C22H17ClN4O3S.C22H16ClNO3S.C21H14Cl3FO3S.C21H18ClNO3S.C20H13BrCl2FNO3S.C20H14BrClFNO3S.C20H14Cl2FNO3S/c23-16-7-5-13(6-8-16)17-12-29-20(21(17)22(27)28)10-19(26)15(11-25)9-14-3-1-2-4-18(14)24;23-16-8-6-15(7-9-16)17-12-31-20(21(17)22(29)30)11-19(28)18(27-13-24-25-26-27)10-14-4-2-1-3-5-14;1-24-19-5-3-2-4-15(19)8-11-17(25)12-20-21(22(26)27)18(13-28-20)14-6-9-16(23)10-7-14;22-12-6-4-11(5-7-12)14-10-29-19(20(14)21(27)28)9-18(26)17(25)8-13-15(23)2-1-3-16(13)24;1-13(14-5-3-2-4-6-14)11-18(24)23-20-19(21(25)26)17(12-27-20)15-7-9-16(22)10-8-15;21-11-6-4-10(5-7-11)13-9-29-19(17(13)20(27)28)25-18(26)16(24)8-12-14(22)2-1-3-15(12)23;2*21-13-7-5-11(6-8-13)14-10-28-19(17(14)20(26)27)24-18(25)16(23)9-12-3-1-2-4-15(12)22/h1-8,12,15H,9-10H2,(H,27,28);1-9,12-13,18H,10-11H2,(H,29,30);2-7,9-10,13H,8,11-12H2,(H,26,27);1-7,10,17H,8-9H2,(H,27,28);2-10,12-13H,11H2,1H3,(H,23,24)(H,25,26);1-7,9,16H,8H2,(H,25,26)(H,27,28);2*1-8,10,16H,9H2,(H,24,25)(H,26,27)/t;;;;;;;16-/m.......0/s1.
What are the key properties of 4-(4-bromophenyl)-2-[[3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[[3-(2,6-dichlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-chlorophenyl)-3-cyano-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2,6-dichlorophenyl)-3-fluoro-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-isocyanophenyl)-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-4-phenyl-3-(tetrazol-1-yl)butyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(3-phenylbutanoylamino)thiophene-3-carboxylic acid?
4-(4-bromophenyl)-2-[[3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[[3-(2,6-dichlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-chlorophenyl)-3-cyano-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2,6-dichlorophenyl)-3-fluoro-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-isocyanophenyl)-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-4-phenyl-3-(tetrazol-1-yl)butyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(3-phenylbutanoylamino)thiophene-3-carboxylic acid has a molecular weight of 3617.09 g/mol, XLogP of 47.68, 53 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-[[3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[[3-(2,6-dichlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-chlorophenyl)-3-cyano-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2,6-dichlorophenyl)-3-fluoro-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[4-(2-isocyanophenyl)-2-oxobutyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-4-phenyl-3-(tetrazol-1-yl)butyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(3-phenylbutanoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 161091557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).