N-[3-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C20H26N2O6S — CID 4989645

IUPACN-[3-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C20H26N2O6S/c1-22(2)29(24,25)16-8-6-7-15(13-16)21-19(23)10-9-14-11-17(26-3)20(28-5)18(12-14)27-4/h6-8,11-13H,9-10H2,1-5H3,(H,21,23)
InChIKeyIMAUHUUUJKFRTA-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.53
Rot. Bonds9

About N-[3-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[3-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 4989645) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID4989645
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C20H26N2O6S/c1-22(2)29(24,25)16-8-6-7-15(13-16)21-19(23)10-9-14-11-17(26-3)20(28-5)18(12-14)27-4/h6-8,11-13H,9-10H2,1-5H3,(H,21,23)
InChIKeyIMAUHUUUJKFRTA-UHFFFAOYSA-N
XLogP2.53
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 4989645) is N-[3-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is IMAUHUUUJKFRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-22(2)29(24,25)16-8-6-7-15(13-16)21-19(23)10-9-14-11-17(26-3)20(28-5)18(12-14)27-4/h6-8,11-13H,9-10H2,1-5H3,(H,21,23).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[3-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 422.50 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 4989645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).