3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide

C20H26N2O6S — CID 38016036

IUPAC3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)c1
InChIInChI=1S/C20H26N2O6S/c1-22(2)29(24,25)16-8-10-19(28-5)17(13-16)21-20(23)11-6-14-12-15(26-3)7-9-18(14)27-4/h7-10,12-13H,6,11H2,1-5H3,(H,21,23)
InChIKeyLLPWNQOCNZSSJX-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.53
Rot. Bonds9

About 3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide

3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide (PubChem CID 38016036) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
PubChem CID38016036
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)c1
InChIInChI=1S/C20H26N2O6S/c1-22(2)29(24,25)16-8-10-19(28-5)17(13-16)21-20(23)11-6-14-12-15(26-3)7-9-18(14)27-4/h7-10,12-13H,6,11H2,1-5H3,(H,21,23)
InChIKeyLLPWNQOCNZSSJX-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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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100658824
methyl 2-[3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanoylamino]-4,5-dimethoxybenzoate
CID 100600934
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide
CID 17441202
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100754253
N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100678955
N-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33168312
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 4234348
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
CID 8838745
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide
CID 100562291
N-(2,5-dimethoxyphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064134
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-naphthalen-2-yloxyacetamide
CID 26205520
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide (CID 38016036) is 3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide is COc1ccc(OC)c(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The InChIKey is LLPWNQOCNZSSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-22(2)29(24,25)16-8-10-19(28-5)17(13-16)21-20(23)11-6-14-12-15(26-3)7-9-18(14)27-4/h7-10,12-13H,6,11H2,1-5H3,(H,21,23).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]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 3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide is sourced from PubChem (CID 38016036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).