N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide

C20H26N2O5S — CID 100626865

IUPACN-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide
SMILESCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H26N2O5S/c1-6-17(14-10-11-18(26-4)19(13-14)27-5)21-20(23)15-8-7-9-16(12-15)28(24,25)22(2)3/h7-13,17H,6H2,1-5H3,(H,21,23)/t17-/m1/s1
InChIKeyLOKUIPFPHJMXGU-QGZVFWFLSA-N
MW406.50 g/mol
LogP2.84
Rot. Bonds8

About N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide

N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 100626865) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID100626865
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide
SMILESCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H26N2O5S/c1-6-17(14-10-11-18(26-4)19(13-14)27-5)21-20(23)15-8-7-9-16(12-15)28(24,25)22(2)3/h7-13,17H,6H2,1-5H3,(H,21,23)/t17-/m1/s1
InChIKeyLOKUIPFPHJMXGU-QGZVFWFLSA-N
XLogP2.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-(methylsulfamoyl)benzamide
CID 100624134
3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100759380
methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate
CID 46637244
3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide
CID 8624124
N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide
CID 133201858
3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 100648795
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
N-[1-(4-methoxy-3-methylphenyl)propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 133159976
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
[(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8936150

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide (CID 100626865) is N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide is CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is LOKUIPFPHJMXGU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-6-17(14-10-11-18(26-4)19(13-14)27-5)21-20(23)15-8-7-9-16(12-15)28(24,25)22(2)3/h7-13,17H,6H2,1-5H3,(H,21,23)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide?
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 406.50 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 100626865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).