3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

C27H28N2O5S — CID 31945316

IUPAC3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C27H28N2O5S/c1-19(2)29-35(31,32)18-21-11-7-6-10-20(21)16-28-27(30)26-24(17-33-22-12-4-3-5-13-22)23-14-8-9-15-25(23)34-26/h3-15,19,29H,16-18H2,1-2H3,(H,28,30)
InChIKeyRJIAXIZQZQEUJI-UHFFFAOYSA-N
MW492.60 g/mol
LogP4.77
Rot. Bonds10

About 3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 31945316) has the molecular formula C27H28N2O5S and a molecular weight of 492.60 g/mol. Its IUPAC name is 3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID31945316
Molecular FormulaC27H28N2O5S
Molecular Weight492.60 g/mol
Exact Mass492.17
IUPAC Name3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C27H28N2O5S/c1-19(2)29-35(31,32)18-21-11-7-6-10-20(21)16-28-27(30)26-24(17-33-22-12-4-3-5-13-22)23-14-8-9-15-25(23)34-26/h3-15,19,29H,16-18H2,1-2H3,(H,28,30)
InChIKeyRJIAXIZQZQEUJI-UHFFFAOYSA-N
XLogP4.77
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-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

3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18204711
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
2-phenoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121319
2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 119307081
N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18775166
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24560717
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 26904052
methyl 3-methyl-2-[[3-(phenoxymethyl)-1-benzofuran-2-carbonyl]amino]pentanoate
CID 112791595

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 31945316) is 3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1oc2ccccc2c1COc1ccccc1.
What is the InChIKey of 3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is RJIAXIZQZQEUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5S/c1-19(2)29-35(31,32)18-21-11-7-6-10-20(21)16-28-27(30)26-24(17-33-22-12-4-3-5-13-22)23-14-8-9-15-25(23)34-26/h3-15,19,29H,16-18H2,1-2H3,(H,28,30).
What are the key properties of 3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 4.77, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 31945316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).