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

C18H22N2O6S — CID 9413193

IUPACN-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc(OC)c1OC
InChIInChI=1S/C18H22N2O6S/c1-24-15-9-12(10-16(25-2)18(15)26-3)7-8-17(21)20-13-5-4-6-14(11-13)27(19,22)23/h4-6,9-11H,7-8H2,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeyCTFAYKNCQJDXQY-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.93
Rot. Bonds8

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

N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 9413193) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID9413193
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC NameN-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc(OC)c1OC
InChIInChI=1S/C18H22N2O6S/c1-24-15-9-12(10-16(25-2)18(15)26-3)7-8-17(21)20-13-5-4-6-14(11-13)27(19,22)23/h4-6,9-11H,7-8H2,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeyCTFAYKNCQJDXQY-UHFFFAOYSA-N
XLogP1.93
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
CID 9403583
N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2665681
N-[3-(diethylaminomethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55602062
N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55700607
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33307641
3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide
CID 9072555
N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7914234
[2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019117
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 49035377
N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2683148

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 9413193) is N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is CTFAYKNCQJDXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-24-15-9-12(10-16(25-2)18(15)26-3)7-8-17(21)20-13-5-4-6-14(11-13)27(19,22)23/h4-6,9-11H,7-8H2,1-3H3,(H,20,21)(H2,19,22,23).
What are the key properties of N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 394.45 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 9413193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).