2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide

C132H101ClFN21O13S7 — CID 157216550

IUPAC2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide
SMILESCOc1ccc(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)cc1.COc1ccc(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)cc1OC.COc1ccc(OC)c(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)c1.COc1cccc(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)c1.N#Cc1cc(-c2ccncc2)sc1NC(=O)Cc1ccc(Cl)cc1.N#Cc1cc(-c2ccncc2)sc1NC(=O)Cc1ccc(F)cc1.N#Cc1cc(-c2ccncc2)sc1NC(=O)Cc1ccccc1
InChIInChI=1S/2C20H17N3O3S.2C19H15N3O2S.C18H12ClN3OS.C18H12FN3OS.C18H13N3OS/c1-25-16-3-4-17(26-2)14(9-16)11-19(24)23-20-15(12-21)10-18(27-20)13-5-7-22-8-6-13;1-25-16-4-3-13(9-17(16)26-2)10-19(24)23-20-15(12-21)11-18(27-20)14-5-7-22-8-6-14;1-24-16-4-2-13(3-5-16)10-18(23)22-19-15(12-20)11-17(25-19)14-6-8-21-9-7-14;1-24-16-4-2-3-13(9-16)10-18(23)22-19-15(12-20)11-17(25-19)14-5-7-21-8-6-14;2*19-15-3-1-12(2-4-15)9-17(23)22-18-14(11-20)10-16(24-18)13-5-7-21-8-6-13;19-12-15-11-16(14-6-8-20-9-7-14)23-18(15)21-17(22)10-13-4-2-1-3-5-13/h3-10H,11H2,1-2H3,(H,23,24);3-9,11H,10H2,1-2H3,(H,23,24);2*2-9,11H,10H2,1H3,(H,22,23);2*1-8,10H,9H2,(H,22,23);1-9,11H,10H2,(H,21,22)
InChIKeyASMJJBWPWCNTNG-UHFFFAOYSA-N
MW2468.31 g/mol
LogP27.88
Rot. Bonds34

About 2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide

2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide (PubChem CID 157216550) has the molecular formula C132H101ClFN21O13S7 and a molecular weight of 2468.31 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide
PubChem CID157216550
Molecular FormulaC132H101ClFN21O13S7
Molecular Weight2468.31 g/mol
Exact Mass2465.56
IUPAC Name2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide
SMILESCOc1ccc(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)cc1.COc1ccc(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)cc1OC.COc1ccc(OC)c(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)c1.COc1cccc(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)c1.N#Cc1cc(-c2ccncc2)sc1NC(=O)Cc1ccc(Cl)cc1.N#Cc1cc(-c2ccncc2)sc1NC(=O)Cc1ccc(F)cc1.N#Cc1cc(-c2ccncc2)sc1NC(=O)Cc1ccccc1
InChIInChI=1S/2C20H17N3O3S.2C19H15N3O2S.C18H12ClN3OS.C18H12FN3OS.C18H13N3OS/c1-25-16-3-4-17(26-2)14(9-16)11-19(24)23-20-15(12-21)10-18(27-20)13-5-7-22-8-6-13;1-25-16-4-3-13(9-17(16)26-2)10-19(24)23-20-15(12-21)11-18(27-20)14-5-7-22-8-6-14;1-24-16-4-2-13(3-5-16)10-18(23)22-19-15(12-20)11-17(25-19)14-6-8-21-9-7-14;1-24-16-4-2-3-13(9-16)10-18(23)22-19-15(12-20)11-17(25-19)14-5-7-21-8-6-14;2*19-15-3-1-12(2-4-15)9-17(23)22-18-14(11-20)10-16(24-18)13-5-7-21-8-6-13;19-12-15-11-16(14-6-8-20-9-7-14)23-18(15)21-17(22)10-13-4-2-1-3-5-13/h3-10H,11H2,1-2H3,(H,23,24);3-9,11H,10H2,1-2H3,(H,23,24);2*2-9,11H,10H2,1H3,(H,22,23);2*1-8,10H,9H2,(H,22,23);1-9,11H,10H2,(H,21,22)
InChIKeyASMJJBWPWCNTNG-UHFFFAOYSA-N
XLogP27.88
TPSA515.84 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds34
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002468.31
LogP ≤ 527.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Analyze 2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide
CID 157412389
2-(2-bromophenyl)-N-(5-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide;2-(2,5-dimethoxyphenyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide;2-(3-methoxyphenyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-2-yl)acetamide;2-phenyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide;3-phenyl-N-(5-pyridin-4-ylthiophen-2-yl)propanamide
CID 157562454
2-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(4-fluorophenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-phenyl-N-(5-pyridin-4-ylthiophen-3-yl)acetamide
CID 158403985
2-(2-chloro-4-fluorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-6-fluorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methylphenyl)acetamide
CID 160190668

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide (CID 157216550) is 2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide is COc1ccc(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)cc1.COc1ccc(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)cc1OC.COc1ccc(OC)c(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)c1.COc1cccc(CC(=O)Nc2sc(-c3ccncc3)cc2C#N)c1.N#Cc1cc(-c2ccncc2)sc1NC(=O)Cc1ccc(Cl)cc1.N#Cc1cc(-c2ccncc2)sc1NC(=O)Cc1ccc(F)cc1.N#Cc1cc(-c2ccncc2)sc1NC(=O)Cc1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide?
The InChIKey is ASMJJBWPWCNTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H17N3O3S.2C19H15N3O2S.C18H12ClN3OS.C18H12FN3OS.C18H13N3OS/c1-25-16-3-4-17(26-2)14(9-16)11-19(24)23-20-15(12-21)10-18(27-20)13-5-7-22-8-6-13;1-25-16-4-3-13(9-17(16)26-2)10-19(24)23-20-15(12-21)11-18(27-20)14-5-7-22-8-6-14;1-24-16-4-2-13(3-5-16)10-18(23)22-19-15(12-20)11-17(25-19)14-6-8-21-9-7-14;1-24-16-4-2-3-13(9-16)10-18(23)22-19-15(12-20)11-17(25-19)14-5-7-21-8-6-14;2*19-15-3-1-12(2-4-15)9-17(23)22-18-14(11-20)10-16(24-18)13-5-7-21-8-6-13;19-12-15-11-16(14-6-8-20-9-7-14)23-18(15)21-17(22)10-13-4-2-1-3-5-13/h3-10H,11H2,1-2H3,(H,23,24);3-9,11H,10H2,1-2H3,(H,23,24);2*2-9,11H,10H2,1H3,(H,22,23);2*1-8,10H,9H2,(H,22,23);1-9,11H,10H2,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide?
2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide has a molecular weight of 2468.31 g/mol, XLogP of 27.88, 34 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide is sourced from PubChem (CID 157216550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).