N-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide

C125H134Cl4N12O9S4 — CID 159614414

IUPACN-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
SMILESC=C(C)N(C)c1ccc(-c2ccc(OC)c(CN(C(=O)c3sc4ccccc4c3Cl)C3CCC(NC)CC3)c2)cc1.CNC1CCC(N(Cc2cc(-c3ccc(C(C)=O)cc3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccc(C)nc3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccc(N)nc3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1
InChIInChI=1S/C34H38ClN3O2S.C32H33ClN2O3S.C30H32ClN3O2S.C29H31ClN4O2S/c1-22(2)37(4)27-15-10-23(11-16-27)24-12-19-30(40-5)25(20-24)21-38(28-17-13-26(36-3)14-18-28)34(39)33-32(35)29-8-6-7-9-31(29)41-33;1-20(36)21-8-10-22(11-9-21)23-12-17-28(38-3)24(18-23)19-35(26-15-13-25(34-2)14-16-26)32(37)31-30(33)27-6-4-5-7-29(27)39-31;1-19-8-9-21(17-33-19)20-10-15-26(36-3)22(16-20)18-34(24-13-11-23(32-2)12-14-24)30(35)29-28(31)25-6-4-5-7-27(25)37-29;1-32-21-9-11-22(12-10-21)34(29(35)28-27(30)23-5-3-4-6-25(23)37-28)17-20-15-18(7-13-24(20)36-2)19-8-14-26(31)33-16-19/h6-12,15-16,19-20,26,28,36H,1,13-14,17-18,21H2,2-5H3;4-12,17-18,25-26,34H,13-16,19H2,1-3H3;4-10,15-17,23-24,32H,11-14,18H2,1-3H3;3-8,13-16,21-22,32H,9-12,17H2,1-2H3,(H2,31,33)
InChIKeyMNCIVHVFCIIXCI-UHFFFAOYSA-N
MW2218.60 g/mol
LogP29.47
Rot. Bonds31

About N-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide

N-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide (PubChem CID 159614414) has the molecular formula C125H134Cl4N12O9S4 and a molecular weight of 2218.60 g/mol. Its IUPAC name is N-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
PubChem CID159614414
Molecular FormulaC125H134Cl4N12O9S4
Molecular Weight2218.60 g/mol
Exact Mass2214.80
IUPAC NameN-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
SMILESC=C(C)N(C)c1ccc(-c2ccc(OC)c(CN(C(=O)c3sc4ccccc4c3Cl)C3CCC(NC)CC3)c2)cc1.CNC1CCC(N(Cc2cc(-c3ccc(C(C)=O)cc3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccc(C)nc3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccc(N)nc3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1
InChIInChI=1S/C34H38ClN3O2S.C32H33ClN2O3S.C30H32ClN3O2S.C29H31ClN4O2S/c1-22(2)37(4)27-15-10-23(11-16-27)24-12-19-30(40-5)25(20-24)21-38(28-17-13-26(36-3)14-18-28)34(39)33-32(35)29-8-6-7-9-31(29)41-33;1-20(36)21-8-10-22(11-9-21)23-12-17-28(38-3)24(18-23)19-35(26-15-13-25(34-2)14-16-26)32(37)31-30(33)27-6-4-5-7-29(27)39-31;1-19-8-9-21(17-33-19)20-10-15-26(36-3)22(16-20)18-34(24-13-11-23(32-2)12-14-24)30(35)29-28(31)25-6-4-5-7-27(25)37-29;1-32-21-9-11-22(12-10-21)34(29(35)28-27(30)23-5-3-4-6-25(23)37-28)17-20-15-18(7-13-24(20)36-2)19-8-14-26(31)33-16-19/h6-12,15-16,19-20,26,28,36H,1,13-14,17-18,21H2,2-5H3;4-12,17-18,25-26,34H,13-16,19H2,1-3H3;4-10,15-17,23-24,32H,11-14,18H2,1-3H3;3-8,13-16,21-22,32H,9-12,17H2,1-2H3,(H2,31,33)
InChIKeyMNCIVHVFCIIXCI-UHFFFAOYSA-N
XLogP29.47
TPSA238.39 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds31
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002218.60
LogP ≤ 529.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze N-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide (CID 159614414) is N-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide is C=C(C)N(C)c1ccc(-c2ccc(OC)c(CN(C(=O)c3sc4ccccc4c3Cl)C3CCC(NC)CC3)c2)cc1.CNC1CCC(N(Cc2cc(-c3ccc(C(C)=O)cc3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccc(C)nc3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.CNC1CCC(N(Cc2cc(-c3ccc(N)nc3)ccc2OC)C(=O)c2sc3ccccc3c2Cl)CC1.
What is the InChIKey of N-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide?
The InChIKey is MNCIVHVFCIIXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38ClN3O2S.C32H33ClN2O3S.C30H32ClN3O2S.C29H31ClN4O2S/c1-22(2)37(4)27-15-10-23(11-16-27)24-12-19-30(40-5)25(20-24)21-38(28-17-13-26(36-3)14-18-28)34(39)33-32(35)29-8-6-7-9-31(29)41-33;1-20(36)21-8-10-22(11-9-21)23-12-17-28(38-3)24(18-23)19-35(26-15-13-25(34-2)14-16-26)32(37)31-30(33)27-6-4-5-7-29(27)39-31;1-19-8-9-21(17-33-19)20-10-15-26(36-3)22(16-20)18-34(24-13-11-23(32-2)12-14-24)30(35)29-28(31)25-6-4-5-7-27(25)37-29;1-32-21-9-11-22(12-10-21)34(29(35)28-27(30)23-5-3-4-6-25(23)37-28)17-20-15-18(7-13-24(20)36-2)19-8-14-26(31)33-16-19/h6-12,15-16,19-20,26,28,36H,1,13-14,17-18,21H2,2-5H3;4-12,17-18,25-26,34H,13-16,19H2,1-3H3;4-10,15-17,23-24,32H,11-14,18H2,1-3H3;3-8,13-16,21-22,32H,9-12,17H2,1-2H3,(H2,31,33).
What are the key properties of N-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide?
N-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide has a molecular weight of 2218.60 g/mol, XLogP of 29.47, 31 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-acetylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;N-[[5-(6-amino-3-pyridinyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-[4-[methyl(prop-1-en-2-yl)amino]phenyl]phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[[2-methoxy-5-(6-methyl-3-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 159614414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).