4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-N,N-dimethylpyridine-2-carboxamide;[5-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-2-pyridinyl]methanesulfonimidic acid;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide

C123H132Cl4F2N14O11S5 — CID 157087902

IUPAC4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-N,N-dimethylpyridine-2-carboxamide;[5-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-2-pyridinyl]methanesulfonimidic acid;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
SMILESCNC1CCC(N(Cc2cc(-c3ccnc(C(=O)N(C)C)c3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccnc(C)c3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccncc3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.[H]N=S(=O)(O)Cc1ccc(-c2ccc(OC)c(CN(C(=O)c3sc4c(F)ccc(C)c4c3Cl)C3CCC(NC)CC3)c2)cn1
InChIInChI=1S/C33H36ClFN4O3S.C31H34ClFN4O4S2.C30H32ClN3O2S.C29H30ClN3O2S/c1-19-6-12-25(35)30-28(19)29(34)31(43-30)33(41)39(24-10-8-23(36-2)9-11-24)18-22-16-20(7-13-27(22)42-5)21-14-15-37-26(17-21)32(40)38(3)4;1-18-4-12-25(33)29-27(18)28(32)30(42-29)31(38)37(24-10-8-22(35-2)9-11-24)16-21-14-19(6-13-26(21)41-3)20-5-7-23(36-15-20)17-43(34,39)40;1-19-16-21(14-15-33-19)20-8-13-26(36-3)22(17-20)18-34(24-11-9-23(32-2)10-12-24)30(35)29-28(31)25-6-4-5-7-27(25)37-29;1-31-22-8-10-23(11-9-22)33(29(34)28-27(30)24-5-3-4-6-26(24)36-28)18-21-17-20(7-12-25(21)35-2)19-13-15-32-16-14-19/h6-7,12-17,23-24,36H,8-11,18H2,1-5H3;4-7,12-15,22,24,35H,8-11,16-17H2,1-3H3,(H2,34,39,40);4-8,13-17,23-24,32H,9-12,18H2,1-3H3;3-7,12-17,22-23,31H,8-11,18H2,1-2H3
InChIKeyAEHOBJPBUKCWNU-UHFFFAOYSA-N
MW2322.64 g/mol
LogP28.12
Rot. Bonds31

About 4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-N,N-dimethylpyridine-2-carboxamide;[5-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-2-pyridinyl]methanesulfonimidic acid;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide

4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-N,N-dimethylpyridine-2-carboxamide;[5-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-2-pyridinyl]methanesulfonimidic acid;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide (PubChem CID 157087902) has the molecular formula C123H132Cl4F2N14O11S5 and a molecular weight of 2322.64 g/mol. Its IUPAC name is 4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-N,N-dimethylpyridine-2-carboxamide;[5-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-2-pyridinyl]methanesulfonimidic acid;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-N,N-dimethylpyridine-2-carboxamide;[5-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-2-pyridinyl]methanesulfonimidic acid;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
PubChem CID157087902
Molecular FormulaC123H132Cl4F2N14O11S5
Molecular Weight2322.64 g/mol
Exact Mass2318.75
IUPAC Name4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-N,N-dimethylpyridine-2-carboxamide;[5-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-2-pyridinyl]methanesulfonimidic acid;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
SMILESCNC1CCC(N(Cc2cc(-c3ccnc(C(=O)N(C)C)c3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccnc(C)c3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccncc3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.[H]N=S(=O)(O)Cc1ccc(-c2ccc(OC)c(CN(C(=O)c3sc4c(F)ccc(C)c4c3Cl)C3CCC(NC)CC3)c2)cn1
InChIInChI=1S/C33H36ClFN4O3S.C31H34ClFN4O4S2.C30H32ClN3O2S.C29H30ClN3O2S/c1-19-6-12-25(35)30-28(19)29(34)31(43-30)33(41)39(24-10-8-23(36-2)9-11-24)18-22-16-20(7-13-27(22)42-5)21-14-15-37-26(17-21)32(40)38(3)4;1-18-4-12-25(33)29-27(18)28(32)30(42-29)31(38)37(24-10-8-22(35-2)9-11-24)16-21-14-19(6-13-26(21)41-3)20-5-7-23(36-15-20)17-43(34,39)40;1-19-16-21(14-15-33-19)20-8-13-26(36-3)22(17-20)18-34(24-11-9-23(32-2)10-12-24)30(35)29-28(31)25-6-4-5-7-27(25)37-29;1-31-22-8-10-23(11-9-22)33(29(34)28-27(30)24-5-3-4-6-26(24)36-28)18-21-17-20(7-12-25(21)35-2)19-13-15-32-16-14-19/h6-7,12-17,23-24,36H,8-11,18H2,1-5H3;4-7,12-15,22,24,35H,8-11,16-17H2,1-3H3,(H2,34,39,40);4-8,13-17,23-24,32H,9-12,18H2,1-3H3;3-7,12-17,22-23,31H,8-11,18H2,1-2H3
InChIKeyAEHOBJPBUKCWNU-UHFFFAOYSA-N
XLogP28.12
TPSA299.30 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds31
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002322.64
LogP ≤ 528.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-N,N-dimethylpyridine-2-carboxamide;[5-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-2-pyridinyl]methanesulfonimidic acid;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]pyridine-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyrimidin-5-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 161135518
3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 24815576
N-[[5-(4-carbamoylphenyl)-2-methoxyphenyl]methyl]-3-chloro-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;[4-[3-[[(3-chloro-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]phenyl]methanesulfinate;4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]pyridine-2-carboxylic acid;methyl 4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]pyridine-2-carboxylate
CID 157438035
3-chloro-4,7-difluoro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-4,7-difluoro-N-[[2-methoxy-5-(4-prop-1-en-2-ylphenyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 162032097
3-chloro-4,7-difluoro-N-[[5-[6-(methanesulfonamido)-3-pyridinyl]-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 24815575
N-[[5-[4-[acetyl(methyl)amino]phenyl]-2-methoxyphenyl]methyl]-3-chloro-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-4,7-difluoro-N-[[2-methoxy-5-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-4,7-difluoro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 158363036
3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-fluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 24954396
N-[[5-[4-[acetyl(methyl)amino]phenyl]-2-methoxyphenyl]methyl]-3-chloro-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-4,7-difluoro-N-[[2-methoxy-5-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 157417973
3-chloro-4,7-difluoro-N-[[2-methoxy-5-(2-methylsulfonylphenyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 59766917
3-chloro-N-[[5-(3-cyanophenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 140524239
N-[[5-(4-carbamoylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 140524236
3-chloro-N-[[5-(4-ethynylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 88947935

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-N,N-dimethylpyridine-2-carboxamide;[5-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-2-pyridinyl]methanesulfonimidic acid;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-N,N-dimethylpyridine-2-carboxamide;[5-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-2-pyridinyl]methanesulfonimidic acid;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide (CID 157087902) is 4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-N,N-dimethylpyridine-2-carboxamide;[5-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-2-pyridinyl]methanesulfonimidic acid;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-N,N-dimethylpyridine-2-carboxamide;[5-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-2-pyridinyl]methanesulfonimidic acid;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-N,N-dimethylpyridine-2-carboxamide;[5-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-2-pyridinyl]methanesulfonimidic acid;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide is CNC1CCC(N(Cc2cc(-c3ccnc(C(=O)N(C)C)c3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccnc(C)c3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccncc3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.[H]N=S(=O)(O)Cc1ccc(-c2ccc(OC)c(CN(C(=O)c3sc4c(F)ccc(C)c4c3Cl)C3CCC(NC)CC3)c2)cn1.
What is the InChIKey of 4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-N,N-dimethylpyridine-2-carboxamide;[5-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-2-pyridinyl]methanesulfonimidic acid;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide?
The InChIKey is AEHOBJPBUKCWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36ClFN4O3S.C31H34ClFN4O4S2.C30H32ClN3O2S.C29H30ClN3O2S/c1-19-6-12-25(35)30-28(19)29(34)31(43-30)33(41)39(24-10-8-23(36-2)9-11-24)18-22-16-20(7-13-27(22)42-5)21-14-15-37-26(17-21)32(40)38(3)4;1-18-4-12-25(33)29-27(18)28(32)30(42-29)31(38)37(24-10-8-22(35-2)9-11-24)16-21-14-19(6-13-26(21)41-3)20-5-7-23(36-15-20)17-43(34,39)40;1-19-16-21(14-15-33-19)20-8-13-26(36-3)22(17-20)18-34(24-11-9-23(32-2)10-12-24)30(35)29-28(31)25-6-4-5-7-27(25)37-29;1-31-22-8-10-23(11-9-22)33(29(34)28-27(30)24-5-3-4-6-26(24)36-28)18-21-17-20(7-12-25(21)35-2)19-13-15-32-16-14-19/h6-7,12-17,23-24,36H,8-11,18H2,1-5H3;4-7,12-15,22,24,35H,8-11,16-17H2,1-3H3,(H2,34,39,40);4-8,13-17,23-24,32H,9-12,18H2,1-3H3;3-7,12-17,22-23,31H,8-11,18H2,1-2H3.
What are the key properties of 4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-N,N-dimethylpyridine-2-carboxamide;[5-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-2-pyridinyl]methanesulfonimidic acid;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide?
4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-N,N-dimethylpyridine-2-carboxamide;[5-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-2-pyridinyl]methanesulfonimidic acid;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide has a molecular weight of 2322.64 g/mol, XLogP of 28.12, 31 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-N,N-dimethylpyridine-2-carboxamide;[5-[3-[[(3-chloro-7-fluoro-4-methyl-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]-2-pyridinyl]methanesulfonimidic acid;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 157087902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).