2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide

C24H25N3O6S — CID 2103240

IUPAC2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(CNC(C)=O)cc2)c(OC)c1
InChIInChI=1S/C24H25N3O6S/c1-16(28)25-15-17-8-11-19(12-9-17)34(30,31)27-21-7-5-4-6-20(21)24(29)26-22-13-10-18(32-2)14-23(22)33-3/h4-14,27H,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyVTCCKAOMOXYNGJ-UHFFFAOYSA-N
MW483.55 g/mol
LogP3.39
Rot. Bonds9

About 2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide

2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide (PubChem CID 2103240) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
PubChem CID2103240
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Name2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(CNC(C)=O)cc2)c(OC)c1
InChIInChI=1S/C24H25N3O6S/c1-16(28)25-15-17-8-11-19(12-9-17)34(30,31)27-21-7-5-4-6-20(21)24(29)26-22-13-10-18(32-2)14-23(22)33-3/h4-14,27H,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyVTCCKAOMOXYNGJ-UHFFFAOYSA-N
XLogP3.39
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-(3,5-dimethoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2116569
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306
4-(difluoromethylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide
CID 2713371
N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3900901
2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
ethyl 2-({N-(2-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}amino)benzoate
CID 1324419
N-(5-acetamido-2-methoxyphenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 4849615
2-(4-Methoxy-benzenesulfonylamino)-N-((S)-1-phenyl-propyl)-benzamide
CID 44327937
5-Methoxy-N-((S)-1-phenyl-propyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 44328298
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
N-(2-Ethoxy-phenyl)-4-(morpholine-4-sulfonyl)-benzamide
CID 650265

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide?
The IUPAC name of 2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide (CID 2103240) is 2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide.
What is the SMILES notation for 2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide?
The canonical SMILES for 2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(CNC(C)=O)cc2)c(OC)c1.
What is the InChIKey of 2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide?
The InChIKey is VTCCKAOMOXYNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-16(28)25-15-17-8-11-19(12-9-17)34(30,31)27-21-7-5-4-6-20(21)24(29)26-22-13-10-18(32-2)14-23(22)33-3/h4-14,27H,15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide?
2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide has a molecular weight of 483.55 g/mol, XLogP of 3.39, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide is sourced from PubChem (CID 2103240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).