3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

C21H18N4O4S2 — CID 70789477

IUPAC3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCc1cc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3ccccc3)cs2)c(C)o1
InChIInChI=1S/C21H18N4O4S2/c1-13-10-19(14(2)29-13)31(27,28)25-17-11-22-9-8-16(17)20(26)24-21-23-18(12-30-21)15-6-4-3-5-7-15/h3-12,25H,1-2H3,(H,23,24,26)
InChIKeySSZZDDQENGUODL-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.47
Rot. Bonds6

About 3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide (PubChem CID 70789477) has the molecular formula C21H18N4O4S2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
PubChem CID70789477
Molecular FormulaC21H18N4O4S2
Molecular Weight454.53 g/mol
Exact Mass454.08
IUPAC Name3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCc1cc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3ccccc3)cs2)c(C)o1
InChIInChI=1S/C21H18N4O4S2/c1-13-10-19(14(2)29-13)31(27,28)25-17-11-22-9-8-16(17)20(26)24-21-23-18(12-30-21)15-6-4-3-5-7-15/h3-12,25H,1-2H3,(H,23,24,26)
InChIKeySSZZDDQENGUODL-UHFFFAOYSA-N
XLogP4.47
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide (CID 70789477) is 3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide is Cc1cc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3ccccc3)cs2)c(C)o1.
What is the InChIKey of 3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is SSZZDDQENGUODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S2/c1-13-10-19(14(2)29-13)31(27,28)25-17-11-22-9-8-16(17)20(26)24-21-23-18(12-30-21)15-6-4-3-5-7-15/h3-12,25H,1-2H3,(H,23,24,26).
What are the key properties of 3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylfuran-3-yl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 70789477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).