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

C126H129Cl4F3N11O15S5- — CID 157438035

IUPACN-[[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
SMILESCNC1CCC(N(Cc2cc(-c3ccc(C(N)=O)cc3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccc(CS(=O)[O-])cc3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccnc(C(=O)O)c3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccnc(C(=O)OC)c3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1
InChIInChI=1S/C32H33ClFN3O4S.C32H33ClFN3O3S.C31H31ClFN3O4S.C31H33ClN2O4S2/c1-18-5-11-24(34)29-27(18)28(33)30(42-29)31(38)37(23-9-7-22(35-2)8-10-23)17-21-15-19(6-12-26(21)40-3)20-13-14-36-25(16-20)32(39)41-4;1-18-4-14-25(34)29-27(18)28(33)30(41-29)32(39)37(24-12-10-23(36-2)11-13-24)17-22-16-21(9-15-26(22)40-3)19-5-7-20(8-6-19)31(35)38;1-17-4-10-23(33)28-26(17)27(32)29(41-28)30(37)36(22-8-6-21(34-2)7-9-22)16-20-14-18(5-11-25(20)40-3)19-12-13-35-24(15-19)31(38)39;1-33-24-12-14-25(15-13-24)34(31(35)30-29(32)26-5-3-4-6-28(26)39-30)18-23-17-22(11-16-27(23)38-2)21-9-7-20(8-10-21)19-40(36)37/h5-6,11-16,22-23,35H,7-10,17H2,1-4H3;4-9,14-16,23-24,36H,10-13,17H2,1-3H3,(H2,35,38);4-5,10-15,21-22,34H,6-9,16H2,1-3H3,(H,38,39);3-11,16-17,24-25,33H,12-15,18-19H2,1-2H3,(H,36,37)/p-1
InChIKeyKNVMUNVHEKJGSP-UHFFFAOYSA-M
MW2396.62 g/mol
LogP27.71
Rot. Bonds33

About 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

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 (PubChem CID 157438035) has the molecular formula C126H129Cl4F3N11O15S5- and a molecular weight of 2396.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID157438035
Molecular FormulaC126H129Cl4F3N11O15S5-
Molecular Weight2396.62 g/mol
Exact Mass2392.70
IUPAC NameN-[[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
SMILESCNC1CCC(N(Cc2cc(-c3ccc(C(N)=O)cc3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccc(CS(=O)[O-])cc3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccnc(C(=O)O)c3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccnc(C(=O)OC)c3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1
InChIInChI=1S/C32H33ClFN3O4S.C32H33ClFN3O3S.C31H31ClFN3O4S.C31H33ClN2O4S2/c1-18-5-11-24(34)29-27(18)28(33)30(42-29)31(38)37(23-9-7-22(35-2)8-10-23)17-21-15-19(6-12-26(21)40-3)20-13-14-36-25(16-20)32(39)41-4;1-18-4-14-25(34)29-27(18)28(33)30(41-29)32(39)37(24-12-10-23(36-2)11-13-24)17-22-16-21(9-15-26(22)40-3)19-5-7-20(8-6-19)31(35)38;1-17-4-10-23(33)28-26(17)27(32)29(41-28)30(37)36(22-8-6-21(34-2)7-9-22)16-20-14-18(5-11-25(20)40-3)19-12-13-35-24(15-19)31(38)39;1-33-24-12-14-25(15-13-24)34(31(35)30-29(32)26-5-3-4-6-28(26)39-30)18-23-17-22(11-16-27(23)38-2)21-9-7-20(8-10-21)19-40(36)37/h5-6,11-16,22-23,35H,7-10,17H2,1-4H3;4-9,14-16,23-24,36H,10-13,17H2,1-3H3,(H2,35,38);4-5,10-15,21-22,34H,6-9,16H2,1-3H3,(H,38,39);3-11,16-17,24-25,33H,12-15,18-19H2,1-2H3,(H,36,37)/p-1
InChIKeyKNVMUNVHEKJGSP-UHFFFAOYSA-M
XLogP27.71
TPSA338.88 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds33
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002396.62
LogP ≤ 527.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 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 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
N-[[5-(4-carbamoylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 140524236
3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 24815576
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
4-[3-[[(3-chloro-4,7-difluoro-1-benzothiophene-2-carbonyl)-cyclohexylamino]methyl]-4-methoxyphenyl]pyridine-2-carboxylic acid
CID 143669592
[4-[3-[[(3-chloro-4,7-difluoro-1-benzothiophene-2-carbonyl)-[4-(methylamino)cyclohexyl]amino]methyl]-4-methoxyphenyl]phenyl]methyl 2,2,2-trifluoroacetate
CID 88932731
3-chloro-N-[[5-(4-ethynylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 88947935
3-chloro-N-[(2-fluoro-5-phenylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 158761458
3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-4-fluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 24954396
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
N-[[5-[4-[acetyl(methyl)amino]phenyl]-2-fluorophenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 24952642
3-chloro-4,7-difluoro-N-[[5-[6-(methanesulfonamido)-3-pyridinyl]-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 24815575

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC1CCC(N(Cc2cc(-c3ccc(C(N)=O)cc3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccc(CS(=O)[O-])cc3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccnc(C(=O)O)c3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccnc(C(=O)OC)c3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1.
What is the InChIKey of 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?
The InChIKey is KNVMUNVHEKJGSP-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H33ClFN3O4S.C32H33ClFN3O3S.C31H31ClFN3O4S.C31H33ClN2O4S2/c1-18-5-11-24(34)29-27(18)28(33)30(42-29)31(38)37(23-9-7-22(35-2)8-10-23)17-21-15-19(6-12-26(21)40-3)20-13-14-36-25(16-20)32(39)41-4;1-18-4-14-25(34)29-27(18)28(33)30(41-29)32(39)37(24-12-10-23(36-2)11-13-24)17-22-16-21(9-15-26(22)40-3)19-5-7-20(8-6-19)31(35)38;1-17-4-10-23(33)28-26(17)27(32)29(41-28)30(37)36(22-8-6-21(34-2)7-9-22)16-20-14-18(5-11-25(20)40-3)19-12-13-35-24(15-19)31(38)39;1-33-24-12-14-25(15-13-24)34(31(35)30-29(32)26-5-3-4-6-28(26)39-30)18-23-17-22(11-16-27(23)38-2)21-9-7-20(8-10-21)19-40(36)37/h5-6,11-16,22-23,35H,7-10,17H2,1-4H3;4-9,14-16,23-24,36H,10-13,17H2,1-3H3,(H2,35,38);4-5,10-15,21-22,34H,6-9,16H2,1-3H3,(H,38,39);3-11,16-17,24-25,33H,12-15,18-19H2,1-2H3,(H,36,37)/p-1.
What are the key properties of 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?
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 has a molecular weight of 2396.62 g/mol, XLogP of 27.71, 33 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157438035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).