4-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide

C23H25N3O4S — CID 53329601

IUPAC4-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)ccn1
InChIInChI=1S/C23H25N3O4S/c1-23(2,3)16-5-11-20(12-6-16)31(28,29)26-17-7-9-18(10-8-17)30-19-13-14-25-21(15-19)22(27)24-4/h5-15,26H,1-4H3,(H,24,27)
InChIKeyMHIFGRGNUYQUPG-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.33
Rot. Bonds6

About 4-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 53329601) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID53329601
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name4-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)ccn1
InChIInChI=1S/C23H25N3O4S/c1-23(2,3)16-5-11-20(12-6-16)31(28,29)26-17-7-9-18(10-8-17)30-19-13-14-25-21(15-19)22(27)24-4/h5-15,26H,1-4H3,(H,24,27)
InChIKeyMHIFGRGNUYQUPG-UHFFFAOYSA-N
XLogP4.33
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 53329601) is 4-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)ccn1.
What is the InChIKey of 4-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is MHIFGRGNUYQUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-23(2,3)16-5-11-20(12-6-16)31(28,29)26-17-7-9-18(10-8-17)30-19-13-14-25-21(15-19)22(27)24-4/h5-15,26H,1-4H3,(H,24,27).
What are the key properties of 4-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 53329601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).