2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide

C25H29N3O4S — CID 24560717

IUPAC2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C25H29N3O4S/c1-19(2)28-33(30,31)18-21-9-7-6-8-20(21)16-26-25(29)17-32-24-14-12-23(13-15-24)27-22-10-4-3-5-11-22/h3-15,19,27-28H,16-18H2,1-2H3,(H,26,29)
InChIKeyPGKIWWCVGNGUMB-UHFFFAOYSA-N
MW467.59 g/mol
LogP3.95
Rot. Bonds11

About 2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide

2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide (PubChem CID 24560717) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
PubChem CID24560717
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C25H29N3O4S/c1-19(2)28-33(30,31)18-21-9-7-6-8-20(21)16-26-25(29)17-32-24-14-12-23(13-15-24)27-22-10-4-3-5-11-22/h3-15,19,27-28H,16-18H2,1-2H3,(H,26,29)
InChIKeyPGKIWWCVGNGUMB-UHFFFAOYSA-N
XLogP3.95
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide 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

2-[4-(4-methylphenoxy)phenoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24633534
2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 119307081
2-(4-anilinophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 24542839
1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 17405433
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 119307074
3-(2-aminophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609935
3-(4-methoxyphenyl)sulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 34566091
2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 18121313
2-[4-(4-methylphenoxy)phenoxy]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24633590
2-phenoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121319
N-[(2-chlorophenyl)methyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 3873700

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide (CID 24560717) is 2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)COc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
The InChIKey is PGKIWWCVGNGUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-19(2)28-33(30,31)18-21-9-7-6-8-20(21)16-26-25(29)17-32-24-14-12-23(13-15-24)27-22-10-4-3-5-11-22/h3-15,19,27-28H,16-18H2,1-2H3,(H,26,29).
What are the key properties of 2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide?
2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide has a molecular weight of 467.59 g/mol, XLogP of 3.95, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinophenoxy)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 24560717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).