3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide

C21H27NO6S — CID 5170083

IUPAC3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
SMILESCCC(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C21H27NO6S/c1-6-17(7-2)29(24,25)18-8-9-20(28-5)19(13-18)22-21(23)14-10-15(26-3)12-16(11-14)27-4/h8-13,17H,6-7H2,1-5H3,(H,22,23)
InChIKeyDBWYVCTXOAGRJL-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.93
Rot. Bonds9

About 3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide

3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide (PubChem CID 5170083) has the molecular formula C21H27NO6S and a molecular weight of 421.52 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
PubChem CID5170083
Molecular FormulaC21H27NO6S
Molecular Weight421.52 g/mol
Exact Mass421.16
IUPAC Name3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
SMILESCCC(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C21H27NO6S/c1-6-17(7-2)29(24,25)18-8-9-20(28-5)19(13-18)22-21(23)14-10-15(26-3)12-16(11-14)27-4/h8-13,17H,6-7H2,1-5H3,(H,22,23)
InChIKeyDBWYVCTXOAGRJL-UHFFFAOYSA-N
XLogP3.93
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
CID 3256259
3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
CID 5194496
N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide
CID 3270673
N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-2-methyl-3,5-dinitrobenzamide
CID 3294129
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide
CID 3256262
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-methoxybenzamide
CID 7936803
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide (CID 5170083) is 3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide is CCC(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(OC)cc(OC)c2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide?
The InChIKey is DBWYVCTXOAGRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO6S/c1-6-17(7-2)29(24,25)18-8-9-20(28-5)19(13-18)22-21(23)14-10-15(26-3)12-16(11-14)27-4/h8-13,17H,6-7H2,1-5H3,(H,22,23).
What are the key properties of 3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide?
3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide has a molecular weight of 421.52 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 5170083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).