N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide

C21H28N2O7S — CID 2913924

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C21H28N2O7S/c1-7-23(8-2)31(25,26)15-9-10-17(27-3)16(13-15)22-21(24)14-11-18(28-4)20(30-6)19(12-14)29-5/h9-13H,7-8H2,1-6H3,(H,22,24)
InChIKeyHADUCXGOWICLDE-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.00
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide (PubChem CID 2913924) has the molecular formula C21H28N2O7S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
PubChem CID2913924
Molecular FormulaC21H28N2O7S
Molecular Weight452.53 g/mol
Exact Mass452.16
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C21H28N2O7S/c1-7-23(8-2)31(25,26)15-9-10-17(27-3)16(13-15)22-21(24)14-11-18(28-4)20(30-6)19(12-14)29-5/h9-13H,7-8H2,1-6H3,(H,22,24)
InChIKeyHADUCXGOWICLDE-UHFFFAOYSA-N
XLogP3.00
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
CID 3256259
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]pyridine-3-carboxamide
CID 8011851
3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide
CID 4878392
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide
CID 5140341
N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 52707757
4-(cyclopropylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 24643912
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide
CID 26901213

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide (CID 2913924) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is HADUCXGOWICLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O7S/c1-7-23(8-2)31(25,26)15-9-10-17(27-3)16(13-15)22-21(24)14-11-18(28-4)20(30-6)19(12-14)29-5/h9-13H,7-8H2,1-6H3,(H,22,24).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 452.53 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2913924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).