N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide

C17H20N2O5S — CID 39755109

IUPACN-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O5S/c1-23-13-6-9-16(24-2)15(11-13)19-17(20)10-5-12-3-7-14(8-4-12)25(18,21)22/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyOTTNJMBFMMAGQD-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.92
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide

N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide (PubChem CID 39755109) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide
PubChem CID39755109
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O5S/c1-23-13-6-9-16(24-2)15(11-13)19-17(20)10-5-12-3-7-14(8-4-12)25(18,21)22/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyOTTNJMBFMMAGQD-UHFFFAOYSA-N
XLogP1.92
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide
CID 51281176
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 1211084
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
1-(2,5-dimethoxyphenyl)-3-[(4-sulfamoylphenyl)methyl]thiourea
CID 1324283
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
CID 92677057
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226128
4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 87001806
N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643093
1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989677
3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 38016036
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate
CID 16556676

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide (CID 39755109) is N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide is COc1ccc(OC)c(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is OTTNJMBFMMAGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-23-13-6-9-16(24-2)15(11-13)19-17(20)10-5-12-3-7-14(8-4-12)25(18,21)22/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide?
N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 364.42 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 39755109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).