N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide

C21H28N2O6S — CID 100556358

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H28N2O6S/c1-23(2)30(25,26)17-8-10-18(27-3)16(13-17)7-11-21(24)22-14-15-6-9-19(28-4)20(12-15)29-5/h6,8-10,12-13H,7,11,14H2,1-5H3,(H,22,24)
InChIKeyDUEOQXVFXNHMTB-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.21
Rot. Bonds10

About N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide

N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide (PubChem CID 100556358) has the molecular formula C21H28N2O6S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
PubChem CID100556358
Molecular FormulaC21H28N2O6S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H28N2O6S/c1-23(2)30(25,26)17-8-10-18(27-3)16(13-17)7-11-21(24)22-14-15-6-9-19(28-4)20(12-15)29-5/h6,8-10,12-13H,7,11,14H2,1-5H3,(H,22,24)
InChIKeyDUEOQXVFXNHMTB-UHFFFAOYSA-N
XLogP2.21
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
methyl 2-[3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanoylamino]-4,5-dimethoxybenzoate
CID 100600934
N-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100558295
N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100678955
N-(5-chloro-2-methoxyphenyl)-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100658824
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide
CID 100562291
3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 38016036
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
CID 2548359
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100754253
2-[4-(diethylsulfamoyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28554472
2-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetic acid
CID 16770686

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide (CID 100556358) is N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide is COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The InChIKey is DUEOQXVFXNHMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S/c1-23(2)30(25,26)17-8-10-18(27-3)16(13-17)7-11-21(24)22-14-15-6-9-19(28-4)20(12-15)29-5/h6,8-10,12-13H,7,11,14H2,1-5H3,(H,22,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide has a molecular weight of 436.53 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide is sourced from PubChem (CID 100556358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).