N-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide

C34H38N4O6S2Se2 — CID 10724138

IUPACN-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2[Se][Se]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)NCCCC)cc2)cc1
InChIInChI=1S/C34H38N4O6S2Se2/c1-3-5-23-35-45(41,42)27-19-15-25(16-20-27)37-33(39)29-11-7-9-13-31(29)47-48-32-14-10-8-12-30(32)34(40)38-26-17-21-28(22-18-26)46(43,44)36-24-6-4-2/h7-22,35-36H,3-6,23-24H2,1-2H3,(H,37,39)(H,38,40)
InChIKeyOPJMBWPNMCFMRP-UHFFFAOYSA-N
MW820.75 g/mol
LogP3.62
Rot. Bonds17

About N-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide

N-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide (PubChem CID 10724138) has the molecular formula C34H38N4O6S2Se2 and a molecular weight of 820.75 g/mol. Its IUPAC name is N-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide.

Molecular Properties

Compound NameN-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide
PubChem CID10724138
Molecular FormulaC34H38N4O6S2Se2
Molecular Weight820.75 g/mol
Exact Mass822.06
IUPAC NameN-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2[Se][Se]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)NCCCC)cc2)cc1
InChIInChI=1S/C34H38N4O6S2Se2/c1-3-5-23-35-45(41,42)27-19-15-25(16-20-27)37-33(39)29-11-7-9-13-31(29)47-48-32-14-10-8-12-30(32)34(40)38-26-17-21-28(22-18-26)46(43,44)36-24-6-4-2/h7-22,35-36H,3-6,23-24H2,1-2H3,(H,37,39)(H,38,40)
InChIKeyOPJMBWPNMCFMRP-UHFFFAOYSA-N
XLogP3.62
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500820.75
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide
CID 2162853
N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
CID 4278982
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CID 4251063
N-[4-(propylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17225015
N-[4-(butylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 5052998
4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109058795
2-(difluoromethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 34174804
N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17224948
N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 19257784
N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 2187430
2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4954384
N-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide
CID 2991195

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide?
The IUPAC name of N-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide (CID 10724138) is N-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide.
What is the SMILES notation for N-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide?
The canonical SMILES for N-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide is CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2[Se][Se]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)NCCCC)cc2)cc1.
What is the InChIKey of N-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide?
The InChIKey is OPJMBWPNMCFMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O6S2Se2/c1-3-5-23-35-45(41,42)27-19-15-25(16-20-27)37-33(39)29-11-7-9-13-31(29)47-48-32-14-10-8-12-30(32)34(40)38-26-17-21-28(22-18-26)46(43,44)36-24-6-4-2/h7-22,35-36H,3-6,23-24H2,1-2H3,(H,37,39)(H,38,40).
What are the key properties of N-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide?
N-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide has a molecular weight of 820.75 g/mol, XLogP of 3.62, 17 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide is sourced from PubChem (CID 10724138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).