2-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-3-methyl-6-[[(2S)-oxan-2-yl]methyl]benzenesulfonamide

C22H26N4O4S — CID 142797685

IUPAC2-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-3-methyl-6-[[(2S)-oxan-2-yl]methyl]benzenesulfonamide
SMILESCc1cc(-c2cc(-c3c(C)ccc(C[C@@H]4CCCCO4)c3S(N)(=O)=O)cnc2N)on1
InChIInChI=1S/C22H26N4O4S/c1-13-6-7-15(10-17-5-3-4-8-29-17)21(31(24,27)28)20(13)16-11-18(22(23)25-12-16)19-9-14(2)26-30-19/h6-7,9,11-12,17H,3-5,8,10H2,1-2H3,(H2,23,25)(H2,24,27,28)/t17-/m0/s1
InChIKeyVGLWDBOKOMBHMF-KRWDZBQOSA-N
MW442.54 g/mol
LogP3.36
Rot. Bonds5

About 2-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-3-methyl-6-[[(2S)-oxan-2-yl]methyl]benzenesulfonamide

2-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-3-methyl-6-[[(2S)-oxan-2-yl]methyl]benzenesulfonamide (PubChem CID 142797685) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-3-methyl-6-[[(2S)-oxan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-3-methyl-6-[[(2S)-oxan-2-yl]methyl]benzenesulfonamide
PubChem CID142797685
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name2-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-3-methyl-6-[[(2S)-oxan-2-yl]methyl]benzenesulfonamide
SMILESCc1cc(-c2cc(-c3c(C)ccc(C[C@@H]4CCCCO4)c3S(N)(=O)=O)cnc2N)on1
InChIInChI=1S/C22H26N4O4S/c1-13-6-7-15(10-17-5-3-4-8-29-17)21(31(24,27)28)20(13)16-11-18(22(23)25-12-16)19-9-14(2)26-30-19/h6-7,9,11-12,17H,3-5,8,10H2,1-2H3,(H2,23,25)(H2,24,27,28)/t17-/m0/s1
InChIKeyVGLWDBOKOMBHMF-KRWDZBQOSA-N
XLogP3.36
TPSA134.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-1-[3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methylphenyl]sulfonylpyrrolidin-2-yl]methanol
CID 118469981
[(2S)-1-[3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methylphenyl]sulfonylpyrrolidin-2-yl]methanol;sulfane
CID 159510129
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 118470402
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N,4-dimethylbenzenesulfonamide
CID 139499925
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide;hydrochloride
CID 126512138
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(3-hydroxycyclopentyl)-4-methylbenzenesulfonamide
CID 118470154
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 118470041
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzenesulfonamide
CID 118469990
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 118470166
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 126512348
N-cyclohexyl-N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934956
N-[(2-bromo-4-methylphenyl)methyl]-N-[[2-(3-methyl-1,2-oxazol-5-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 166383445

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-3-methyl-6-[[(2S)-oxan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-3-methyl-6-[[(2S)-oxan-2-yl]methyl]benzenesulfonamide (CID 142797685) is 2-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-3-methyl-6-[[(2S)-oxan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-3-methyl-6-[[(2S)-oxan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-3-methyl-6-[[(2S)-oxan-2-yl]methyl]benzenesulfonamide is Cc1cc(-c2cc(-c3c(C)ccc(C[C@@H]4CCCCO4)c3S(N)(=O)=O)cnc2N)on1.
What is the InChIKey of 2-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-3-methyl-6-[[(2S)-oxan-2-yl]methyl]benzenesulfonamide?
The InChIKey is VGLWDBOKOMBHMF-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-13-6-7-15(10-17-5-3-4-8-29-17)21(31(24,27)28)20(13)16-11-18(22(23)25-12-16)19-9-14(2)26-30-19/h6-7,9,11-12,17H,3-5,8,10H2,1-2H3,(H2,23,25)(H2,24,27,28)/t17-/m0/s1.
What are the key properties of 2-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-3-methyl-6-[[(2S)-oxan-2-yl]methyl]benzenesulfonamide?
2-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-3-methyl-6-[[(2S)-oxan-2-yl]methyl]benzenesulfonamide has a molecular weight of 442.54 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-3-methyl-6-[[(2S)-oxan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 142797685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).