N-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

C80H61F4N9O13S5 — CID 88919778

IUPACN-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)cc1.Cc1cc(C)cc(S(=O)(=O)c2ccc(CN(Cc3ccc(S(=O)(=O)c4ccc(C#N)cc4)cc3)C(=O)c3cc4ccncc4o3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1)c1cnc2nccn2c1
InChIInChI=1S/C37H29N3O6S2.C22H18N2O4S2.C21H14F4N4O3S/c1-25-17-26(2)19-34(18-25)48(44,45)33-13-7-29(8-14-33)24-40(37(41)35-20-30-15-16-39-22-36(30)46-35)23-28-5-11-32(12-6-28)47(42,43)31-9-3-27(21-38)4-10-31;1-28-17-4-8-19(9-5-17)30(26,27)18-6-2-15(3-7-18)13-24-22(25)20-12-16-10-11-23-14-21(16)29-20;22-15-3-6-18(17(9-15)21(23,24)25)33(31,32)16-4-1-13(2-5-16)10-27-19(30)14-11-28-20-26-7-8-29(20)12-14/h3-20,22H,23-24H2,1-2H3;2-12,14H,13H2,1H3,(H,24,25);1-9,11-12H,10H2,(H,27,30)
InChIKeyQQIFCVCXKWRNEN-UHFFFAOYSA-N
MW1592.74 g/mol
LogP14.54
Rot. Bonds20

About N-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 88919778) has the molecular formula C80H61F4N9O13S5 and a molecular weight of 1592.74 g/mol. Its IUPAC name is N-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID88919778
Molecular FormulaC80H61F4N9O13S5
Molecular Weight1592.74 g/mol
Exact Mass1591.29
IUPAC NameN-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)cc1.Cc1cc(C)cc(S(=O)(=O)c2ccc(CN(Cc3ccc(S(=O)(=O)c4ccc(C#N)cc4)cc3)C(=O)c3cc4ccncc4o3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1)c1cnc2nccn2c1
InChIInChI=1S/C37H29N3O6S2.C22H18N2O4S2.C21H14F4N4O3S/c1-25-17-26(2)19-34(18-25)48(44,45)33-13-7-29(8-14-33)24-40(37(41)35-20-30-15-16-39-22-36(30)46-35)23-28-5-11-32(12-6-28)47(42,43)31-9-3-27(21-38)4-10-31;1-28-17-4-8-19(9-5-17)30(26,27)18-6-2-15(3-7-18)13-24-22(25)20-12-16-10-11-23-14-21(16)29-20;22-15-3-6-18(17(9-15)21(23,24)25)33(31,32)16-4-1-13(2-5-16)10-27-19(30)14-11-28-20-26-7-8-29(20)12-14/h3-20,22H,23-24H2,1-2H3;2-12,14H,13H2,1H3,(H,24,25);1-9,11-12H,10H2,(H,27,30)
InChIKeyQQIFCVCXKWRNEN-UHFFFAOYSA-N
XLogP14.54
TPSA317.20 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001592.74
LogP ≤ 514.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze N-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-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 N-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 88919778) is N-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is COc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)cc1.Cc1cc(C)cc(S(=O)(=O)c2ccc(CN(Cc3ccc(S(=O)(=O)c4ccc(C#N)cc4)cc3)C(=O)c3cc4ccncc4o3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1)c1cnc2nccn2c1.
What is the InChIKey of N-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is QQIFCVCXKWRNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N3O6S2.C22H18N2O4S2.C21H14F4N4O3S/c1-25-17-26(2)19-34(18-25)48(44,45)33-13-7-29(8-14-33)24-40(37(41)35-20-30-15-16-39-22-36(30)46-35)23-28-5-11-32(12-6-28)47(42,43)31-9-3-27(21-38)4-10-31;1-28-17-4-8-19(9-5-17)30(26,27)18-6-2-15(3-7-18)13-24-22(25)20-12-16-10-11-23-14-21(16)29-20;22-15-3-6-18(17(9-15)21(23,24)25)33(31,32)16-4-1-13(2-5-16)10-27-19(30)14-11-28-20-26-7-8-29(20)12-14/h3-20,22H,23-24H2,1-2H3;2-12,14H,13H2,1H3,(H,24,25);1-9,11-12H,10H2,(H,27,30).
What are the key properties of N-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 1592.74 g/mol, XLogP of 14.54, 20 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 88919778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).