N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide

C85H66BrCl3F2N18O12S6 — CID 159634460

IUPACN-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide
SMILESC/N=C(\N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Br)cn2)cc1.NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C
InChIInChI=1S/C23H17BrN4O4S2.C23H17ClN4O4S2.C20H17ClFN5O2S.C19H15ClFN5O2S/c2*24-16-9-10-20(26-13-16)28-23(30)21-18(11-12-33-21)27-22(29)15-7-5-14(6-8-15)17-3-1-2-4-19(17)34(25,31)32;1-27(2)18(23)11-3-5-13(14(22)9-11)19(28)25-15-7-8-30-17(15)20(29)26-16-6-4-12(21)10-24-16;1-23-17(22)10-2-4-12(13(21)8-10)18(27)25-14-6-7-29-16(14)19(28)26-15-5-3-11(20)9-24-15/h2*1-13H,(H,27,29)(H2,25,31,32)(H,26,28,30);3-10,23H,1-2H3,(H,25,28)(H,24,26,29);2-9H,1H3,(H2,22,23)(H,25,27)(H,24,26,28)/b;;23-18-;
InChIKeyMPOFDIMJNOXSHH-IFZUWQLZSA-N
MW1948.24 g/mol
LogP17.44
Rot. Bonds22

About N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide

N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide (PubChem CID 159634460) has the molecular formula C85H66BrCl3F2N18O12S6 and a molecular weight of 1948.24 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide
PubChem CID159634460
Molecular FormulaC85H66BrCl3F2N18O12S6
Molecular Weight1948.24 g/mol
Exact Mass1944.16
IUPAC NameN-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide
SMILESC/N=C(\N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Br)cn2)cc1.NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C
InChIInChI=1S/C23H17BrN4O4S2.C23H17ClN4O4S2.C20H17ClFN5O2S.C19H15ClFN5O2S/c2*24-16-9-10-20(26-13-16)28-23(30)21-18(11-12-33-21)27-22(29)15-7-5-14(6-8-15)17-3-1-2-4-19(17)34(25,31)32;1-27(2)18(23)11-3-5-13(14(22)9-11)19(28)25-15-7-8-30-17(15)20(29)26-16-6-4-12(21)10-24-16;1-23-17(22)10-2-4-12(13(21)8-10)18(27)25-14-6-7-29-16(14)19(28)26-15-5-3-11(20)9-24-15/h2*1-13H,(H,27,29)(H2,25,31,32)(H,26,28,30);3-10,23H,1-2H3,(H,25,28)(H,24,26,29);2-9H,1H3,(H2,22,23)(H,25,27)(H,24,26,28)/b;;23-18-;
InChIKeyMPOFDIMJNOXSHH-IFZUWQLZSA-N
XLogP17.44
TPSA470.15 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms127
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001948.24
LogP ≤ 517.44
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide (CID 159634460) is N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide is C/N=C(\N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Br)cn2)cc1.NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide?
The InChIKey is MPOFDIMJNOXSHH-IFZUWQLZSA-N. The full InChI is InChI=1S/C23H17BrN4O4S2.C23H17ClN4O4S2.C20H17ClFN5O2S.C19H15ClFN5O2S/c2*24-16-9-10-20(26-13-16)28-23(30)21-18(11-12-33-21)27-22(29)15-7-5-14(6-8-15)17-3-1-2-4-19(17)34(25,31)32;1-27(2)18(23)11-3-5-13(14(22)9-11)19(28)25-15-7-8-30-17(15)20(29)26-16-6-4-12(21)10-24-16;1-23-17(22)10-2-4-12(13(21)8-10)18(27)25-14-6-7-29-16(14)19(28)26-15-5-3-11(20)9-24-15/h2*1-13H,(H,27,29)(H2,25,31,32)(H,26,28,30);3-10,23H,1-2H3,(H,25,28)(H,24,26,29);2-9H,1H3,(H2,22,23)(H,25,27)(H,24,26,28)/b;;23-18-;.
What are the key properties of N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide?
N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide has a molecular weight of 1948.24 g/mol, XLogP of 17.44, 22 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide is sourced from PubChem (CID 159634460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).