N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide

C22H30N4O6S2 — CID 4258041

IUPACN-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C22H30N4O6S2/c1-4-26(5-2)34(30,31)20-10-11-22(25-12-14-32-15-13-25)21(16-20)24-33(28,29)19-8-6-18(7-9-19)23-17(3)27/h6-11,16,24H,4-5,12-15H2,1-3H3,(H,23,27)
InChIKeyUQYGTSUHRWFADT-UHFFFAOYSA-N
MW510.64 g/mol
LogP2.31
Rot. Bonds9

About N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide

N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide (PubChem CID 4258041) has the molecular formula C22H30N4O6S2 and a molecular weight of 510.64 g/mol. Its IUPAC name is N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide
PubChem CID4258041
Molecular FormulaC22H30N4O6S2
Molecular Weight510.64 g/mol
Exact Mass510.16
IUPAC NameN-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C22H30N4O6S2/c1-4-26(5-2)34(30,31)20-10-11-22(25-12-14-32-15-13-25)21(16-20)24-33(28,29)19-8-6-18(7-9-19)23-17(3)27/h6-11,16,24H,4-5,12-15H2,1-3H3,(H,23,27)
InChIKeyUQYGTSUHRWFADT-UHFFFAOYSA-N
XLogP2.31
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide (CID 4258041) is N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is UQYGTSUHRWFADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O6S2/c1-4-26(5-2)34(30,31)20-10-11-22(25-12-14-32-15-13-25)21(16-20)24-33(28,29)19-8-6-18(7-9-19)23-17(3)27/h6-11,16,24H,4-5,12-15H2,1-3H3,(H,23,27).
What are the key properties of N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 510.64 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4258041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).