3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide

C18H22N2O6S — CID 17225990

IUPAC3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCNS(=O)(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H22N2O6S/c1-24-15-11-13(12-16(25-2)18(15)26-3)20-17(21)9-10-19-27(22,23)14-7-5-4-6-8-14/h4-8,11-12,19H,9-10H2,1-3H3,(H,20,21)
InChIKeyCEQJPFMBOHGZDS-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.02
Rot. Bonds9

About 3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide

3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 17225990) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID17225990
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC Name3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCNS(=O)(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H22N2O6S/c1-24-15-11-13(12-16(25-2)18(15)26-3)20-17(21)9-10-19-27(22,23)14-7-5-4-6-8-14/h4-8,11-12,19H,9-10H2,1-3H3,(H,20,21)
InChIKeyCEQJPFMBOHGZDS-UHFFFAOYSA-N
XLogP2.02
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 86926608
N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide
CID 17154620
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9246179
3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 45106746
N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9466214
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312
3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 17225945
3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 32728448
3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 18268034
3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109039839
2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113000941

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide (CID 17225990) is 3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)CCNS(=O)(=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is CEQJPFMBOHGZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-24-15-11-13(12-16(25-2)18(15)26-3)20-17(21)9-10-19-27(22,23)14-7-5-4-6-8-14/h4-8,11-12,19H,9-10H2,1-3H3,(H,20,21).
What are the key properties of 3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide?
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 394.45 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 17225990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).