2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C21H28N2O4S — CID 134007931

IUPAC2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)Oc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C21H28N2O4S/c1-14(2)17-7-6-8-19(13-17)27-16(5)21(24)22-18-9-11-20(12-10-18)28(25,26)23-15(3)4/h6-16,23H,1-5H3,(H,22,24)
InChIKeyJTJREVLFPJIPOZ-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.90
Rot. Bonds8

About 2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 134007931) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID134007931
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)Oc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C21H28N2O4S/c1-14(2)17-7-6-8-19(13-17)27-16(5)21(24)22-18-9-11-20(12-10-18)28(25,26)23-15(3)4/h6-16,23H,1-5H3,(H,22,24)
InChIKeyJTJREVLFPJIPOZ-UHFFFAOYSA-N
XLogP3.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 16794467
(2R)-2-(4-acetylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7763890
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8579900
2-(4-cyanophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 16548273
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953580
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)propanamide
CID 21173355
(2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 93487080
2-(3-chlorophenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 5057660
(2S)-2-(2-chlorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7816093
(2R)-2-(2-chlorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7816091
(2S)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 30392024

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 134007931) is 2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)Oc2cccc(C(C)C)c2)cc1.
What is the InChIKey of 2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is JTJREVLFPJIPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-14(2)17-7-6-8-19(13-17)27-16(5)21(24)22-18-9-11-20(12-10-18)28(25,26)23-15(3)4/h6-16,23H,1-5H3,(H,22,24).
What are the key properties of 2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 404.53 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 134007931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).