N-(3,4-dimethoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide

C18H23N3O5S — CID 1289244

IUPACN-(3,4-dimethoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1OC
InChIInChI=1S/C18H23N3O5S/c1-20(2)27(23,24)21(15-8-6-5-7-9-15)13-18(22)19-14-10-11-16(25-3)17(12-14)26-4/h5-12H,13H2,1-4H3,(H,19,22)
InChIKeyOTIQSEUOOIVQMS-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.96
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide

N-(3,4-dimethoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide (PubChem CID 1289244) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
PubChem CID1289244
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1OC
InChIInChI=1S/C18H23N3O5S/c1-20(2)27(23,24)21(15-8-6-5-7-9-15)13-18(22)19-14-10-11-16(25-3)17(12-14)26-4/h5-12H,13H2,1-4H3,(H,19,22)
InChIKeyOTIQSEUOOIVQMS-UHFFFAOYSA-N
XLogP1.96
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide (CID 1289244) is N-(3,4-dimethoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide is COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The InChIKey is OTIQSEUOOIVQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-20(2)27(23,24)21(15-8-6-5-7-9-15)13-18(22)19-14-10-11-16(25-3)17(12-14)26-4/h5-12H,13H2,1-4H3,(H,19,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide?
N-(3,4-dimethoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide has a molecular weight of 393.47 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide is sourced from PubChem (CID 1289244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).