3-chloro-N-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(2,2-difluoropropanoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide

C128H131Cl4F6N11O9S4 — CID 157242517

IUPAC3-chloro-N-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(2,2-difluoropropanoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
SMILESCNC1CCC(N(Cc2cc(-c3cc(C)nc(C)c3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccc(C#N)cc3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccc(C(=O)C(C)(F)F)cc3)ccc2OC)C(=O)c2sc3c(F)ccc(F)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccnc(C)c3)ccc2OC)C(=O)c2sc3cccc(C)c3c2Cl)CC1
InChIInChI=1S/C33H31ClF4N2O3S.C32H35ClFN3O2S.C32H31ClFN3O2S.C31H34ClN3O2S/c1-33(37,38)31(41)19-6-4-18(5-7-19)20-8-15-26(43-3)21(16-20)17-40(23-11-9-22(39-2)10-12-23)32(42)30-28(34)27-24(35)13-14-25(36)29(27)44-30;1-18-6-12-26(34)30-28(18)29(33)31(40-30)32(38)37(25-10-8-24(35-4)9-11-25)17-23-16-21(7-13-27(23)39-5)22-14-19(2)36-20(3)15-22;1-19-4-14-26(34)30-28(19)29(33)31(40-30)32(38)37(25-12-10-24(36-2)11-13-25)18-23-16-22(9-15-27(23)39-3)21-7-5-20(17-35)6-8-21;1-19-6-5-7-27-28(19)29(32)30(38-27)31(36)35(25-11-9-24(33-3)10-12-25)18-23-17-21(8-13-26(23)37-4)22-14-15-34-20(2)16-22/h4-8,13-16,22-23,39H,9-12,17H2,1-3H3;6-7,12-16,24-25,35H,8-11,17H2,1-5H3;4-9,14-16,24-25,36H,10-13,18H2,1-3H3;5-8,13-17,24-25,33H,9-12,18H2,1-4H3
InChIKeyAVJILFAUGHNCLE-UHFFFAOYSA-N
MW2351.59 g/mol
LogP31.52
Rot. Bonds30

About 3-chloro-N-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(2,2-difluoropropanoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(2,2-difluoropropanoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide (PubChem CID 157242517) has the molecular formula C128H131Cl4F6N11O9S4 and a molecular weight of 2351.59 g/mol. Its IUPAC name is 3-chloro-N-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(2,2-difluoropropanoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(2,2-difluoropropanoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
PubChem CID157242517
Molecular FormulaC128H131Cl4F6N11O9S4
Molecular Weight2351.59 g/mol
Exact Mass2347.77
IUPAC Name3-chloro-N-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(2,2-difluoropropanoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
SMILESCNC1CCC(N(Cc2cc(-c3cc(C)nc(C)c3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccc(C#N)cc3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccc(C(=O)C(C)(F)F)cc3)ccc2OC)C(=O)c2sc3c(F)ccc(F)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccnc(C)c3)ccc2OC)C(=O)c2sc3cccc(C)c3c2Cl)CC1
InChIInChI=1S/C33H31ClF4N2O3S.C32H35ClFN3O2S.C32H31ClFN3O2S.C31H34ClN3O2S/c1-33(37,38)31(41)19-6-4-18(5-7-19)20-8-15-26(43-3)21(16-20)17-40(23-11-9-22(39-2)10-12-23)32(42)30-28(34)27-24(35)13-14-25(36)29(27)44-30;1-18-6-12-26(34)30-28(18)29(33)31(40-30)32(38)37(25-10-8-24(35-4)9-11-25)17-23-16-21(7-13-27(23)39-5)22-14-19(2)36-20(3)15-22;1-19-4-14-26(34)30-28(19)29(33)31(40-30)32(38)37(25-12-10-24(36-2)11-13-25)18-23-16-22(9-15-27(23)39-3)21-7-5-20(17-35)6-8-21;1-19-6-5-7-27-28(19)29(32)30(38-27)31(36)35(25-11-9-24(33-3)10-12-25)18-23-17-21(8-13-26(23)37-4)22-14-15-34-20(2)16-22/h4-8,13-16,22-23,39H,9-12,17H2,1-3H3;6-7,12-16,24-25,35H,8-11,17H2,1-5H3;4-9,14-16,24-25,36H,10-13,18H2,1-3H3;5-8,13-17,24-25,33H,9-12,18H2,1-4H3
InChIKeyAVJILFAUGHNCLE-UHFFFAOYSA-N
XLogP31.52
TPSA232.92 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002351.59
LogP ≤ 531.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 3-chloro-N-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(2,2-difluoropropanoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(2,2-difluoropropanoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(2,2-difluoropropanoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide (CID 157242517) is 3-chloro-N-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(2,2-difluoropropanoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(2,2-difluoropropanoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(2,2-difluoropropanoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide is CNC1CCC(N(Cc2cc(-c3cc(C)nc(C)c3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccc(C#N)cc3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccc(C(=O)C(C)(F)F)cc3)ccc2OC)C(=O)c2sc3c(F)ccc(F)c3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccnc(C)c3)ccc2OC)C(=O)c2sc3cccc(C)c3c2Cl)CC1.
What is the InChIKey of 3-chloro-N-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(2,2-difluoropropanoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide?
The InChIKey is AVJILFAUGHNCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31ClF4N2O3S.C32H35ClFN3O2S.C32H31ClFN3O2S.C31H34ClN3O2S/c1-33(37,38)31(41)19-6-4-18(5-7-19)20-8-15-26(43-3)21(16-20)17-40(23-11-9-22(39-2)10-12-23)32(42)30-28(34)27-24(35)13-14-25(36)29(27)44-30;1-18-6-12-26(34)30-28(18)29(33)31(40-30)32(38)37(25-10-8-24(35-4)9-11-25)17-23-16-21(7-13-27(23)39-5)22-14-19(2)36-20(3)15-22;1-19-4-14-26(34)30-28(19)29(33)31(40-30)32(38)37(25-12-10-24(36-2)11-13-25)18-23-16-22(9-15-27(23)39-3)21-7-5-20(17-35)6-8-21;1-19-6-5-7-27-28(19)29(32)30(38-27)31(36)35(25-11-9-24(33-3)10-12-25)18-23-17-21(8-13-26(23)37-4)22-14-15-34-20(2)16-22/h4-8,13-16,22-23,39H,9-12,17H2,1-3H3;6-7,12-16,24-25,35H,8-11,17H2,1-5H3;4-9,14-16,24-25,36H,10-13,18H2,1-3H3;5-8,13-17,24-25,33H,9-12,18H2,1-4H3.
What are the key properties of 3-chloro-N-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(2,2-difluoropropanoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(2,2-difluoropropanoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide has a molecular weight of 2351.59 g/mol, XLogP of 31.52, 30 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[5-(4-cyanophenyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-[4-(2,2-difluoropropanoyl)phenyl]-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(2,6-dimethyl-4-pyridinyl)-2-methoxyphenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 157242517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).