3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C20H26N2O4S — CID 55573139

IUPAC3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCc1cc(C)cc(OCCC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1
InChIInChI=1S/C20H26N2O4S/c1-14(2)22-27(24,25)19-7-5-17(6-8-19)21-20(23)9-10-26-18-12-15(3)11-16(4)13-18/h5-8,11-14,22H,9-10H2,1-4H3,(H,21,23)
InChIKeyAMJCWOOKWRITCH-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.40
Rot. Bonds8

About 3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 55573139) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID55573139
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCc1cc(C)cc(OCCC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1
InChIInChI=1S/C20H26N2O4S/c1-14(2)22-27(24,25)19-7-5-17(6-8-19)21-20(23)9-10-26-18-12-15(3)11-16(4)13-18/h5-8,11-14,22H,9-10H2,1-4H3,(H,21,23)
InChIKeyAMJCWOOKWRITCH-UHFFFAOYSA-N
XLogP3.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9219325
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 46584839
5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 79194887
methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate
CID 55709060
2-(3,5-dimethylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4510841
2-(4-chloro-3-methylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 4924502
(2S)-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 26430195
4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
CID 119685718
[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl] thiocyanate
CID 17034710
4-(2-methoxyethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17353518
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
CID 137353897

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 55573139) is 3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is Cc1cc(C)cc(OCCC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is AMJCWOOKWRITCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14(2)22-27(24,25)19-7-5-17(6-8-19)21-20(23)9-10-26-18-12-15(3)11-16(4)13-18/h5-8,11-14,22H,9-10H2,1-4H3,(H,21,23).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 390.51 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 55573139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).