N-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

C28H25F3N4O4S2 — CID 142263841

IUPACN-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)nc1
InChIInChI=1S/C28H25F3N4O4S2/c1-2-3-4-9-25(36)35-41(38,39)24-8-6-5-7-21(24)33-26(37)19-12-15-22(32-16-19)27-34-23(17-40-27)18-10-13-20(14-11-18)28(29,30)31/h5-8,10-17H,2-4,9H2,1H3,(H,33,37)(H,35,36)
InChIKeyOKUWHMWRMQZRKY-UHFFFAOYSA-N
MW602.66 g/mol
LogP6.53
Rot. Bonds10

About N-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

N-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 142263841) has the molecular formula C28H25F3N4O4S2 and a molecular weight of 602.66 g/mol. Its IUPAC name is N-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID142263841
Molecular FormulaC28H25F3N4O4S2
Molecular Weight602.66 g/mol
Exact Mass602.13
IUPAC NameN-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)nc1
InChIInChI=1S/C28H25F3N4O4S2/c1-2-3-4-9-25(36)35-41(38,39)24-8-6-5-7-21(24)33-26(37)19-12-15-22(32-16-19)27-34-23(17-40-27)18-10-13-20(14-11-18)28(29,30)31/h5-8,10-17H,2-4,9H2,1H3,(H,33,37)(H,35,36)
InChIKeyOKUWHMWRMQZRKY-UHFFFAOYSA-N
XLogP6.53
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.66
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-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

butyl N-[2-[[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzoyl]amino]phenyl]sulfonylcarbamate
CID 142263832
N-butylsulfonyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzoyl]amino]benzamide
CID 142263808
N-[2-(hexanoylsulfamoyl)phenyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzamide
CID 10303046
N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-(trifluoromethylsulfanyl)phenyl]quinoline-6-carboxamide
CID 58874527
N-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide
CID 18544135
N-[2-(decanoylsulfamoyl)phenyl]-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-sulfamoylphenyl)benzamide
CID 158399066
N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide
CID 154638092
3-benzamido-4-[4-(fluoromethyl)anilino]-N-[2-(hexanoylsulfamoyl)phenyl]benzamide;fluoromethane
CID 143133230
N-[2-(hexanoylsulfamoyl)phenyl]-3-nitro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]benzamide
CID 58874634
4-anilino-N-[2-(hexanoylsulfamoyl)phenyl]-3-nitrobenzamide
CID 58874798
4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5109793
4-[2-(4-fluorophenyl)ethynyl]-N-[2-(5-oxohexanoylsulfamoyl)phenyl]benzamide
CID 10142067

Frequently Asked Questions

What is the IUPAC name of N-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 142263841) is N-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is CCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)nc1.
What is the InChIKey of N-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is OKUWHMWRMQZRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O4S2/c1-2-3-4-9-25(36)35-41(38,39)24-8-6-5-7-21(24)33-26(37)19-12-15-22(32-16-19)27-34-23(17-40-27)18-10-13-20(14-11-18)28(29,30)31/h5-8,10-17H,2-4,9H2,1H3,(H,33,37)(H,35,36).
What are the key properties of N-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
N-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 602.66 g/mol, XLogP of 6.53, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 142263841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).