N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(2-methylsulfonylethylamino)-3-pyridinyl]phenyl]acetamide

C23H28N4O4S — CID 66967922

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(2-methylsulfonylethylamino)-3-pyridinyl]phenyl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3ccc(NCCS(C)(=O)=O)nc3)cc2)no1
InChIInChI=1S/C23H28N4O4S/c1-23(2,3)19-14-21(27-31-19)26-22(28)13-16-5-7-17(8-6-16)18-9-10-20(25-15-18)24-11-12-32(4,29)30/h5-10,14-15H,11-13H2,1-4H3,(H,24,25)(H,26,27,28)
InChIKeyAFQMAGSFNWUQQD-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.67
Rot. Bonds8

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(2-methylsulfonylethylamino)-3-pyridinyl]phenyl]acetamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(2-methylsulfonylethylamino)-3-pyridinyl]phenyl]acetamide (PubChem CID 66967922) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(2-methylsulfonylethylamino)-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(2-methylsulfonylethylamino)-3-pyridinyl]phenyl]acetamide
PubChem CID66967922
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(2-methylsulfonylethylamino)-3-pyridinyl]phenyl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3ccc(NCCS(C)(=O)=O)nc3)cc2)no1
InChIInChI=1S/C23H28N4O4S/c1-23(2,3)19-14-21(27-31-19)26-22(28)13-16-5-7-17(8-6-16)18-9-10-20(25-15-18)24-11-12-32(4,29)30/h5-10,14-15H,11-13H2,1-4H3,(H,24,25)(H,26,27,28)
InChIKeyAFQMAGSFNWUQQD-UHFFFAOYSA-N
XLogP3.67
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(2-methylsulfonylethylamino)-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(2-methylsulfonylethylamino)-3-pyridinyl]phenyl]acetamide (CID 66967922) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(2-methylsulfonylethylamino)-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(2-methylsulfonylethylamino)-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(2-methylsulfonylethylamino)-3-pyridinyl]phenyl]acetamide is CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3ccc(NCCS(C)(=O)=O)nc3)cc2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(2-methylsulfonylethylamino)-3-pyridinyl]phenyl]acetamide?
The InChIKey is AFQMAGSFNWUQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-23(2,3)19-14-21(27-31-19)26-22(28)13-16-5-7-17(8-6-16)18-9-10-20(25-15-18)24-11-12-32(4,29)30/h5-10,14-15H,11-13H2,1-4H3,(H,24,25)(H,26,27,28).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(2-methylsulfonylethylamino)-3-pyridinyl]phenyl]acetamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(2-methylsulfonylethylamino)-3-pyridinyl]phenyl]acetamide has a molecular weight of 456.57 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[6-(2-methylsulfonylethylamino)-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 66967922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).