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

C21H22N4O4S — CID 54783017

IUPACN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H22N4O4S/c1-14(2)15-4-6-16(7-5-15)20(26)24-17-8-10-18(11-9-17)30(27,28)25-19-21(29-3)23-13-12-22-19/h4-14H,1-3H3,(H,22,25)(H,24,26)
InChIKeyFDXQPVZKTSKPMI-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.66
Rot. Bonds7

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

N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide (PubChem CID 54783017) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
PubChem CID54783017
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H22N4O4S/c1-14(2)15-4-6-16(7-5-15)20(26)24-17-8-10-18(11-9-17)30(27,28)25-19-21(29-3)23-13-12-22-19/h4-14H,1-3H3,(H,22,25)(H,24,26)
InChIKeyFDXQPVZKTSKPMI-UHFFFAOYSA-N
XLogP3.66
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 54783087
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 1040639
4-[bis(2-chloroethyl)sulfamoyl]-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 86809401
2-chloro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 22693790
1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 3424492
2-methoxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 3563880
N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-methylpropanamide
CID 54783157
2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 168520143
N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-4-nitrobenzamide
CID 54783138
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
CID 3628664
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-propoxybenzamide
CID 54782935
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CID 170923254

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide (CID 54783017) is N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide is COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide?
The InChIKey is FDXQPVZKTSKPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-14(2)15-4-6-16(7-5-15)20(26)24-17-8-10-18(11-9-17)30(27,28)25-19-21(29-3)23-13-12-22-19/h4-14H,1-3H3,(H,22,25)(H,24,26).
What are the key properties of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide?
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide has a molecular weight of 426.50 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 54783017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).