N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide

C16H20N4O4S — CID 47004794

IUPACN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C16H20N4O4S/c1-11-8-18-15(9-17-11)16(21)19-13-4-6-14(7-5-13)25(22,23)20-12(2)10-24-3/h4-9,12,20H,10H2,1-3H3,(H,19,21)
InChIKeyBTOUQGMUTRLRNT-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.35
Rot. Bonds7

About N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide

N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide (PubChem CID 47004794) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
PubChem CID47004794
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C16H20N4O4S/c1-11-8-18-15(9-17-11)16(21)19-13-4-6-14(7-5-13)25(22,23)20-12(2)10-24-3/h4-9,12,20H,10H2,1-3H3,(H,19,21)
InChIKeyBTOUQGMUTRLRNT-UHFFFAOYSA-N
XLogP1.35
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 4780813
6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide
CID 2547899
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-methylbutanamide
CID 51331716
N-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide
CID 4985724
4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 42909880
N-[4-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-5-methylpyrazine-2-carboxamide
CID 98606904
2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 78778266
5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 42906818
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide
CID 39948388
4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-(4-propylphenyl)benzamide
CID 9294142
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55606320

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide (CID 47004794) is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide is COCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cnc(C)cn2)cc1.
What is the InChIKey of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is BTOUQGMUTRLRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-11-8-18-15(9-17-11)16(21)19-13-4-6-14(7-5-13)25(22,23)20-12(2)10-24-3/h4-9,12,20H,10H2,1-3H3,(H,19,21).
What are the key properties of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide?
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 47004794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).