N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide

C22H24N4O5S — CID 54782642

IUPACN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccnc2OC)cc1
InChIInChI=1S/C22H24N4O5S/c1-4-18(31-19-8-6-5-7-15(19)2)21(27)25-16-9-11-17(12-10-16)32(28,29)26-20-22(30-3)24-14-13-23-20/h5-14,18H,4H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyINGXUBLOVLEZLO-UHFFFAOYSA-N
MW456.52 g/mol
LogP3.39
Rot. Bonds9

About N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide

N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide (PubChem CID 54782642) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
PubChem CID54782642
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC NameN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccnc2OC)cc1
InChIInChI=1S/C22H24N4O5S/c1-4-18(31-19-8-6-5-7-15(19)2)21(27)25-16-9-11-17(12-10-16)32(28,29)26-20-22(30-3)24-14-13-23-20/h5-14,18H,4H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyINGXUBLOVLEZLO-UHFFFAOYSA-N
XLogP3.39
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43908529
2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 43885240
(2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 92672537
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43876669
(2S)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 40582413
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43910321
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)propanamide
CID 54782638
2-methoxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 3563880
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 93488130
2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885380
2-(4-ethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]propanamide
CID 54782995
(2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 30384301

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
The IUPAC name of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide (CID 54782642) is N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccnc2OC)cc1.
What is the InChIKey of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
The InChIKey is INGXUBLOVLEZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-4-18(31-19-8-6-5-7-15(19)2)21(27)25-16-9-11-17(12-10-16)32(28,29)26-20-22(30-3)24-14-13-23-20/h5-14,18H,4H2,1-3H3,(H,23,26)(H,25,27).
What are the key properties of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide has a molecular weight of 456.52 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 54782642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).