N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide

C25H28N2O6S — CID 26878789

IUPACN-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1OCC
InChIInChI=1S/C25H28N2O6S/c1-5-32-22-14-13-19(16-23(22)33-6-2)26-25(28)18-12-11-17(3)24(15-18)34(29,30)27-20-9-7-8-10-21(20)31-4/h7-16,27H,5-6H2,1-4H3,(H,26,28)
InChIKeyFGDVNSOXBRUVSD-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.85
Rot. Bonds10

About N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide

N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 26878789) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID26878789
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC NameN-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1OCC
InChIInChI=1S/C25H28N2O6S/c1-5-32-22-14-13-19(16-23(22)33-6-2)26-25(28)18-12-11-17(3)24(15-18)34(29,30)27-20-9-7-8-10-21(20)31-4/h7-16,27H,5-6H2,1-4H3,(H,26,28)
InChIKeyFGDVNSOXBRUVSD-UHFFFAOYSA-N
XLogP4.85
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-diethoxyphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26878798
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
4-(difluoromethoxy)-3-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26644330
3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1081903
N-[6-(dimethylamino)-3-pyridinyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 30295673
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-methylbenzamide
CID 1260706
N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2687808
4-ethoxy-3-methoxy-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24635979
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 4846593
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55945307
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 55954729

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide (CID 26878789) is N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide is CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is FGDVNSOXBRUVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-5-32-22-14-13-19(16-23(22)33-6-2)26-25(28)18-12-11-17(3)24(15-18)34(29,30)27-20-9-7-8-10-21(20)31-4/h7-16,27H,5-6H2,1-4H3,(H,26,28).
What are the key properties of N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 484.57 g/mol, XLogP of 4.85, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 26878789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).