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'}

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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).