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

C20H20N4O4S — CID 1187346

IUPACN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C20H20N4O4S/c1-28-20-19(21-13-14-22-20)24-29(26,27)17-10-8-16(9-11-17)23-18(25)12-7-15-5-3-2-4-6-15/h2-6,8-11,13-14H,7,12H2,1H3,(H,21,24)(H,23,25)
InChIKeyFIKZGFJMJDPAKN-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.86
Rot. Bonds8

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

N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide (PubChem CID 1187346) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide
PubChem CID1187346
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C20H20N4O4S/c1-28-20-19(21-13-14-22-20)24-29(26,27)17-10-8-16(9-11-17)23-18(25)12-7-15-5-3-2-4-6-15/h2-6,8-11,13-14H,7,12H2,1H3,(H,21,24)(H,23,25)
InChIKeyFIKZGFJMJDPAKN-UHFFFAOYSA-N
XLogP2.86
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide (CID 1187346) is N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide is COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide?
The InChIKey is FIKZGFJMJDPAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-28-20-19(21-13-14-22-20)24-29(26,27)17-10-8-16(9-11-17)23-18(25)12-7-15-5-3-2-4-6-15/h2-6,8-11,13-14H,7,12H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide?
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide has a molecular weight of 412.47 g/mol, XLogP of 2.86, 8 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]-3-phenylpropanamide is sourced from PubChem (CID 1187346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).