3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide

C20H26N2O5S — CID 100562291

IUPAC3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide
SMILESCOCc1cccc(NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)c1
InChIInChI=1S/C20H26N2O5S/c1-22(2)28(24,25)18-9-10-19(27-4)16(13-18)8-11-20(23)21-17-7-5-6-15(12-17)14-26-3/h5-7,9-10,12-13H,8,11,14H2,1-4H3,(H,21,23)
InChIKeyOVUHCVWRHHYWOV-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.66
Rot. Bonds9

About 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide

3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide (PubChem CID 100562291) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide
PubChem CID100562291
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide
SMILESCOCc1cccc(NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)c1
InChIInChI=1S/C20H26N2O5S/c1-22(2)28(24,25)18-9-10-19(27-4)16(13-18)8-11-20(23)21-17-7-5-6-15(12-17)14-26-3/h5-7,9-10,12-13H,8,11,14H2,1-4H3,(H,21,23)
InChIKeyOVUHCVWRHHYWOV-UHFFFAOYSA-N
XLogP2.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100678955
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100751352
N-(5-chloro-2-methoxyphenyl)-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100658824
3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 38016036
methyl 2-[3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanoylamino]-4,5-dimethoxybenzoate
CID 100600934
N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100556358
2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid
CID 119352036
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide
CID 51277442
N-(3-ethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 7699788
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide
CID 17441202
3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide
CID 9020974
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100754253

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide?
The IUPAC name of 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide (CID 100562291) is 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide.
What is the SMILES notation for 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide?
The canonical SMILES for 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide is COCc1cccc(NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)c1.
What is the InChIKey of 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide?
The InChIKey is OVUHCVWRHHYWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-22(2)28(24,25)18-9-10-19(27-4)16(13-18)8-11-20(23)21-17-7-5-6-15(12-17)14-26-3/h5-7,9-10,12-13H,8,11,14H2,1-4H3,(H,21,23).
What are the key properties of 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide?
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide has a molecular weight of 406.50 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide is sourced from PubChem (CID 100562291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).