3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide

C22H29NO7S — CID 3256259

IUPAC3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
SMILESCCC(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C22H29NO7S/c1-7-15(8-2)31(25,26)16-9-10-18(27-3)17(13-16)23-22(24)14-11-19(28-4)21(30-6)20(12-14)29-5/h9-13,15H,7-8H2,1-6H3,(H,23,24)
InChIKeyCWCDFJMXHGVNDN-UHFFFAOYSA-N
MW451.54 g/mol
LogP3.94
Rot. Bonds10

About 3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide

3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide (PubChem CID 3256259) has the molecular formula C22H29NO7S and a molecular weight of 451.54 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
PubChem CID3256259
Molecular FormulaC22H29NO7S
Molecular Weight451.54 g/mol
Exact Mass451.17
IUPAC Name3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
SMILESCCC(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C22H29NO7S/c1-7-15(8-2)31(25,26)16-9-10-18(27-3)17(13-16)23-22(24)14-11-19(28-4)21(30-6)20(12-14)29-5/h9-13,15H,7-8H2,1-6H3,(H,23,24)
InChIKeyCWCDFJMXHGVNDN-UHFFFAOYSA-N
XLogP3.94
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
CID 5170083
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
CID 5194496
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
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]-4-iodobenzamide
CID 26901201
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide
CID 3256262
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide
CID 4878392

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide (CID 3256259) is 3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide is CCC(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide?
The InChIKey is CWCDFJMXHGVNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO7S/c1-7-15(8-2)31(25,26)16-9-10-18(27-3)17(13-16)23-22(24)14-11-19(28-4)21(30-6)20(12-14)29-5/h9-13,15H,7-8H2,1-6H3,(H,23,24).
What are the key properties of 3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide?
3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide has a molecular weight of 451.54 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 3256259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).