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

C21H22N4O5S — CID 54782935

IUPACN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccnc3OC)cc2)c1
InChIInChI=1S/C21H22N4O5S/c1-3-13-30-17-6-4-5-15(14-17)20(26)24-16-7-9-18(10-8-16)31(27,28)25-19-21(29-2)23-12-11-22-19/h4-12,14H,3,13H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyPSRJXTUWWIRQCY-UHFFFAOYSA-N
MW442.50 g/mol
LogP3.33
Rot. Bonds9

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

N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-propoxybenzamide (PubChem CID 54782935) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-propoxybenzamide
PubChem CID54782935
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC NameN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccnc3OC)cc2)c1
InChIInChI=1S/C21H22N4O5S/c1-3-13-30-17-6-4-5-15(14-17)20(26)24-16-7-9-18(10-8-16)31(27,28)25-19-21(29-2)23-12-11-22-19/h4-12,14H,3,13H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyPSRJXTUWWIRQCY-UHFFFAOYSA-N
XLogP3.33
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethoxy-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 54783109
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 54783017
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782625
2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 168520143
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 1040639
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887
2-methoxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 3563880
2-chloro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 22693790
methyl 4-[(3-propoxybenzoyl)amino]benzoate
CID 2293242
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4954948
4-[bis(2-chloroethyl)sulfamoyl]-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 86809401
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide
CID 4960073

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-propoxybenzamide?
The IUPAC name of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-propoxybenzamide (CID 54782935) is N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-propoxybenzamide.
What is the SMILES notation for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-propoxybenzamide?
The canonical SMILES for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccnc3OC)cc2)c1.
What is the InChIKey of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-propoxybenzamide?
The InChIKey is PSRJXTUWWIRQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-3-13-30-17-6-4-5-15(14-17)20(26)24-16-7-9-18(10-8-16)31(27,28)25-19-21(29-2)23-12-11-22-19/h4-12,14H,3,13H2,1-2H3,(H,22,25)(H,24,26).
What are the key properties of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-propoxybenzamide?
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-propoxybenzamide has a molecular weight of 442.50 g/mol, XLogP of 3.33, 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]-3-propoxybenzamide is sourced from PubChem (CID 54782935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).