5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C25H24Br2N2O5S — CID 166353809

IUPAC5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Br)cc2)c(NC(=O)C2COc3ccc(Br)cc32)c1
InChIInChI=1S/C25H24Br2N2O5S/c1-3-29(4-2)35(31,32)19-10-12-24(34-18-8-5-16(26)6-9-18)22(14-19)28-25(30)21-15-33-23-11-7-17(27)13-20(21)23/h5-14,21H,3-4,15H2,1-2H3,(H,28,30)
InChIKeyPJZYDBPAYTUOHK-UHFFFAOYSA-N
MW624.35 g/mol
LogP6.15
Rot. Bonds8

About 5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide

5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 166353809) has the molecular formula C25H24Br2N2O5S and a molecular weight of 624.35 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID166353809
Molecular FormulaC25H24Br2N2O5S
Molecular Weight624.35 g/mol
Exact Mass621.98
IUPAC Name5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Br)cc2)c(NC(=O)C2COc3ccc(Br)cc32)c1
InChIInChI=1S/C25H24Br2N2O5S/c1-3-29(4-2)35(31,32)19-10-12-24(34-18-8-5-16(26)6-9-18)22(14-19)28-25(30)21-15-33-23-11-7-17(27)13-20(21)23/h5-14,21H,3-4,15H2,1-2H3,(H,28,30)
InChIKeyPJZYDBPAYTUOHK-UHFFFAOYSA-N
XLogP6.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.35
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide
CID 167989447
N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 166186892
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3162267
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide
CID 16566573
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55414222
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide
CID 42997357
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopropanecarboxamide
CID 26354488
N-[5-(diethylsulfamoyl)-2-(4-ethoxyphenoxy)phenyl]furan-3-carboxamide
CID 34132202
N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide
CID 43077587
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopentanecarboxamide
CID 4820427
N-[2-(4-chlorophenoxy)-5-(diethylsulfamoyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55574853
N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide
CID 52866213

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 166353809) is 5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Br)cc2)c(NC(=O)C2COc3ccc(Br)cc32)c1.
What is the InChIKey of 5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is PJZYDBPAYTUOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Br2N2O5S/c1-3-29(4-2)35(31,32)19-10-12-24(34-18-8-5-16(26)6-9-18)22(14-19)28-25(30)21-15-33-23-11-7-17(27)13-20(21)23/h5-14,21H,3-4,15H2,1-2H3,(H,28,30).
What are the key properties of 5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 624.35 g/mol, XLogP of 6.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 166353809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).