3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide

C25H28N2O5S — CID 4148036

IUPAC3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCOc2cc(C)ccc2C)ccc1C
InChIInChI=1S/C25H28N2O5S/c1-17-9-10-18(2)23(15-17)32-14-13-25(28)26-20-12-11-19(3)24(16-20)33(29,30)27-21-7-5-6-8-22(21)31-4/h5-12,15-16,27H,13-14H2,1-4H3,(H,26,28)
InChIKeyAUKMPZGWAWVNLZ-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.83
Rot. Bonds9

About 3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide

3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide (PubChem CID 4148036) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
PubChem CID4148036
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCOc2cc(C)ccc2C)ccc1C
InChIInChI=1S/C25H28N2O5S/c1-17-9-10-18(2)23(15-17)32-14-13-25(28)26-20-12-11-19(3)24(16-20)33(29,30)27-21-7-5-6-8-22(21)31-4/h5-12,15-16,27H,13-14H2,1-4H3,(H,26,28)
InChIKeyAUKMPZGWAWVNLZ-UHFFFAOYSA-N
XLogP4.83
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 24642708
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 3911593
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
CID 24642606
N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
CID 39754906
3-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
CID 24642566
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethylbenzamide
CID 3879769
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline
CID 54798120
(2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide
CID 41083072
N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 7946465
N-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 2452955

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide (CID 4148036) is 3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCOc2cc(C)ccc2C)ccc1C.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide?
The InChIKey is AUKMPZGWAWVNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-17-9-10-18(2)23(15-17)32-14-13-25(28)26-20-12-11-19(3)24(16-20)33(29,30)27-21-7-5-6-8-22(21)31-4/h5-12,15-16,27H,13-14H2,1-4H3,(H,26,28).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide?
3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide has a molecular weight of 468.58 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide is sourced from PubChem (CID 4148036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).