N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide

C13H20N2O3S2 — CID 100500584

IUPACN-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SC)c(NC(C)=O)c1
InChIInChI=1S/C13H20N2O3S2/c1-5-15(6-2)20(17,18)11-7-8-13(19-4)12(9-11)14-10(3)16/h7-9H,5-6H2,1-4H3,(H,14,16)
InChIKeyNTJNZFWYSFJYAJ-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.40
Rot. Bonds6

About N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide

N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide (PubChem CID 100500584) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide
PubChem CID100500584
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SC)c(NC(C)=O)c1
InChIInChI=1S/C13H20N2O3S2/c1-5-15(6-2)20(17,18)11-7-8-13(19-4)12(9-11)14-10(3)16/h7-9H,5-6H2,1-4H3,(H,14,16)
InChIKeyNTJNZFWYSFJYAJ-UHFFFAOYSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100553378
N-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 133164856
N-[5-[(2,5-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100578977
N-[4-(diethylsulfamoyl)phenyl]sulfonylacetamide
CID 154139337
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100574955
N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100686383
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide
CID 46511241
(2S)-2-amino-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]propanamide
CID 119267327
N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide
CID 43077587
N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide
CID 30659892

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide (CID 100500584) is N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(SC)c(NC(C)=O)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide?
The InChIKey is NTJNZFWYSFJYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-5-15(6-2)20(17,18)11-7-8-13(19-4)12(9-11)14-10(3)16/h7-9H,5-6H2,1-4H3,(H,14,16).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide?
N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide has a molecular weight of 316.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 100500584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).