3-chloro-N-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-7-fluoro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide

C128H132Cl4F7N9O9S4 — CID 158821928

IUPAC3-chloro-N-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-7-fluoro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
SMILESCCOc1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)cc1CN(C(=O)c1sc2c(F)ccc(C)c2c1Cl)C1CCC(NC)CC1.CCc1ccc(-c2ccc(OC)c(CN(C(=O)c3sc4c(F)ccc(F)c4c3Cl)C3CCC(NC)CC3)c2)cc1.CCc1ccc(-c2ccc(OC)c(CN(C(=O)c3sc4ccccc4c3Cl)C3CCC(NC)CC3)c2)cc1.CNC1CCC(N(Cc2cc(-c3ccncc3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1
InChIInChI=1S/C34H33ClF4N2O3S.C32H33ClF2N2O2S.C32H35ClN2O2S.C30H31ClFN3O2S/c1-4-44-27-16-10-22(20-6-8-21(9-7-20)32(42)34(37,38)39)17-23(27)18-41(25-13-11-24(40-3)12-14-25)33(43)31-29(35)28-19(2)5-15-26(36)30(28)45-31;1-4-19-5-7-20(8-6-19)21-9-16-27(39-3)22(17-21)18-37(24-12-10-23(36-2)11-13-24)32(38)31-29(33)28-25(34)14-15-26(35)30(28)40-31;1-4-21-9-11-22(12-10-21)23-13-18-28(37-3)24(19-23)20-35(26-16-14-25(34-2)15-17-26)32(36)31-30(33)27-7-5-6-8-29(27)38-31;1-18-4-10-24(32)28-26(18)27(31)29(38-28)30(36)35(23-8-6-22(33-2)7-9-23)17-21-16-20(5-11-25(21)37-3)19-12-14-34-15-13-19/h5-10,15-17,24-25,40H,4,11-14,18H2,1-3H3;5-9,14-17,23-24,36H,4,10-13,18H2,1-3H3;5-13,18-19,25-26,34H,4,14-17,20H2,1-3H3;4-5,10-16,22-23,33H,6-9,17H2,1-3H3
InChIKeyIVZBTVWVIUKCCH-UHFFFAOYSA-N
MW2343.58 g/mol
LogP32.44
Rot. Bonds32

About 3-chloro-N-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-7-fluoro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-7-fluoro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide (PubChem CID 158821928) has the molecular formula C128H132Cl4F7N9O9S4 and a molecular weight of 2343.58 g/mol. Its IUPAC name is 3-chloro-N-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-7-fluoro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-7-fluoro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
PubChem CID158821928
Molecular FormulaC128H132Cl4F7N9O9S4
Molecular Weight2343.58 g/mol
Exact Mass2339.77
IUPAC Name3-chloro-N-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-7-fluoro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
SMILESCCOc1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)cc1CN(C(=O)c1sc2c(F)ccc(C)c2c1Cl)C1CCC(NC)CC1.CCc1ccc(-c2ccc(OC)c(CN(C(=O)c3sc4c(F)ccc(F)c4c3Cl)C3CCC(NC)CC3)c2)cc1.CCc1ccc(-c2ccc(OC)c(CN(C(=O)c3sc4ccccc4c3Cl)C3CCC(NC)CC3)c2)cc1.CNC1CCC(N(Cc2cc(-c3ccncc3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1
InChIInChI=1S/C34H33ClF4N2O3S.C32H33ClF2N2O2S.C32H35ClN2O2S.C30H31ClFN3O2S/c1-4-44-27-16-10-22(20-6-8-21(9-7-20)32(42)34(37,38)39)17-23(27)18-41(25-13-11-24(40-3)12-14-25)33(43)31-29(35)28-19(2)5-15-26(36)30(28)45-31;1-4-19-5-7-20(8-6-19)21-9-16-27(39-3)22(17-21)18-37(24-12-10-23(36-2)11-13-24)32(38)31-29(33)28-25(34)14-15-26(35)30(28)40-31;1-4-21-9-11-22(12-10-21)23-13-18-28(37-3)24(19-23)20-35(26-16-14-25(34-2)15-17-26)32(36)31-30(33)27-7-5-6-8-29(27)38-31;1-18-4-10-24(32)28-26(18)27(31)29(38-28)30(36)35(23-8-6-22(33-2)7-9-23)17-21-16-20(5-11-25(21)37-3)19-12-14-34-15-13-19/h5-10,15-17,24-25,40H,4,11-14,18H2,1-3H3;5-9,14-17,23-24,36H,4,10-13,18H2,1-3H3;5-13,18-19,25-26,34H,4,14-17,20H2,1-3H3;4-5,10-16,22-23,33H,6-9,17H2,1-3H3
InChIKeyIVZBTVWVIUKCCH-UHFFFAOYSA-N
XLogP32.44
TPSA196.24 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002343.58
LogP ≤ 532.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 3-chloro-N-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-7-fluoro-N-[(2-methoxy-5-pyridin-4-ylphenyl)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-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-7-fluoro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-7-fluoro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide (CID 158821928) is 3-chloro-N-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-7-fluoro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-7-fluoro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-7-fluoro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide is CCOc1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)cc1CN(C(=O)c1sc2c(F)ccc(C)c2c1Cl)C1CCC(NC)CC1.CCc1ccc(-c2ccc(OC)c(CN(C(=O)c3sc4c(F)ccc(F)c4c3Cl)C3CCC(NC)CC3)c2)cc1.CCc1ccc(-c2ccc(OC)c(CN(C(=O)c3sc4ccccc4c3Cl)C3CCC(NC)CC3)c2)cc1.CNC1CCC(N(Cc2cc(-c3ccncc3)ccc2OC)C(=O)c2sc3c(F)ccc(C)c3c2Cl)CC1.
What is the InChIKey of 3-chloro-N-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-7-fluoro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide?
The InChIKey is IVZBTVWVIUKCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33ClF4N2O3S.C32H33ClF2N2O2S.C32H35ClN2O2S.C30H31ClFN3O2S/c1-4-44-27-16-10-22(20-6-8-21(9-7-20)32(42)34(37,38)39)17-23(27)18-41(25-13-11-24(40-3)12-14-25)33(43)31-29(35)28-19(2)5-15-26(36)30(28)45-31;1-4-19-5-7-20(8-6-19)21-9-16-27(39-3)22(17-21)18-37(24-12-10-23(36-2)11-13-24)32(38)31-29(33)28-25(34)14-15-26(35)30(28)40-31;1-4-21-9-11-22(12-10-21)23-13-18-28(37-3)24(19-23)20-35(26-16-14-25(34-2)15-17-26)32(36)31-30(33)27-7-5-6-8-29(27)38-31;1-18-4-10-24(32)28-26(18)27(31)29(38-28)30(36)35(23-8-6-22(33-2)7-9-23)17-21-16-20(5-11-25(21)37-3)19-12-14-34-15-13-19/h5-10,15-17,24-25,40H,4,11-14,18H2,1-3H3;5-9,14-17,23-24,36H,4,10-13,18H2,1-3H3;5-13,18-19,25-26,34H,4,14-17,20H2,1-3H3;4-5,10-16,22-23,33H,6-9,17H2,1-3H3.
What are the key properties of 3-chloro-N-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-7-fluoro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-7-fluoro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide has a molecular weight of 2343.58 g/mol, XLogP of 32.44, 32 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[2-ethoxy-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]-7-fluoro-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[5-(4-ethylphenyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-7-fluoro-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-4-methyl-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 158821928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).