N-[5-(dimethylsulfamoyl)-2,4-dimethoxyphenyl]acetamide

C12H18N2O5S — CID 57401932

IUPACN-[5-(dimethylsulfamoyl)-2,4-dimethoxyphenyl]acetamide
SMILESCOc1cc(OC)c(S(=O)(=O)N(C)C)cc1NC(C)=O
InChIInChI=1S/C12H18N2O5S/c1-8(15)13-9-6-12(20(16,17)14(2)3)11(19-5)7-10(9)18-4/h6-7H,1-5H3,(H,13,15)
InChIKeyRUKCRMPDKINKRM-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.91
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2,4-dimethoxyphenyl]acetamide

N-[5-(dimethylsulfamoyl)-2,4-dimethoxyphenyl]acetamide (PubChem CID 57401932) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2,4-dimethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2,4-dimethoxyphenyl]acetamide
PubChem CID57401932
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC NameN-[5-(dimethylsulfamoyl)-2,4-dimethoxyphenyl]acetamide
SMILESCOc1cc(OC)c(S(=O)(=O)N(C)C)cc1NC(C)=O
InChIInChI=1S/C12H18N2O5S/c1-8(15)13-9-6-12(20(16,17)14(2)3)11(19-5)7-10(9)18-4/h6-7H,1-5H3,(H,13,15)
InChIKeyRUKCRMPDKINKRM-UHFFFAOYSA-N
XLogP0.91
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2,4-dimethoxyphenyl]acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2,4-dimethoxyphenyl]acetamide (CID 57401932) is N-[5-(dimethylsulfamoyl)-2,4-dimethoxyphenyl]acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2,4-dimethoxyphenyl]acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2,4-dimethoxyphenyl]acetamide is COc1cc(OC)c(S(=O)(=O)N(C)C)cc1NC(C)=O.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2,4-dimethoxyphenyl]acetamide?
The InChIKey is RUKCRMPDKINKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-8(15)13-9-6-12(20(16,17)14(2)3)11(19-5)7-10(9)18-4/h6-7H,1-5H3,(H,13,15).
What are the key properties of N-[5-(dimethylsulfamoyl)-2,4-dimethoxyphenyl]acetamide?
N-[5-(dimethylsulfamoyl)-2,4-dimethoxyphenyl]acetamide has a molecular weight of 302.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2,4-dimethoxyphenyl]acetamide is sourced from PubChem (CID 57401932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).