3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide

C18H22N2O5S — CID 22108283

IUPAC3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCOc1cccc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1OC
InChIInChI=1S/C18H22N2O5S/c1-24-16-5-3-4-14(18(16)25-2)8-11-17(21)20-12-13-6-9-15(10-7-13)26(19,22)23/h3-7,9-10H,8,11-12H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyQTTXWNBUUSZLEA-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.60
Rot. Bonds8

About 3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide

3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 22108283) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID22108283
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCOc1cccc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1OC
InChIInChI=1S/C18H22N2O5S/c1-24-16-5-3-4-14(18(16)25-2)8-11-17(21)20-12-13-6-9-15(10-7-13)26(19,22)23/h3-7,9-10H,8,11-12H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyQTTXWNBUUSZLEA-UHFFFAOYSA-N
XLogP1.60
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500
1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 110674272
3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 24589039
3-(2,3-dimethoxyphenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9481076
3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 9428782
3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 50971111
3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 34554888
N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide
CID 18118508
3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide
CID 9072555
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118791
3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60703250

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 22108283) is 3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide is COc1cccc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is QTTXWNBUUSZLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-16-5-3-4-14(18(16)25-2)8-11-17(21)20-12-13-6-9-15(10-7-13)26(19,22)23/h3-7,9-10H,8,11-12H2,1-2H3,(H,20,21)(H2,19,22,23).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 378.45 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 22108283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).