2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide

C11H16N2O2S2 — CID 79186028

IUPAC2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide
SMILESCCN(C)S(=O)(=O)c1ccc(CC(N)=S)cc1
InChIInChI=1S/C11H16N2O2S2/c1-3-13(2)17(14,15)10-6-4-9(5-7-10)8-11(12)16/h4-7H,3,8H2,1-2H3,(H2,12,16)
InChIKeyGUKUGEDMYOMHLH-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.16
Rot. Bonds5

About 2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide

2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide (PubChem CID 79186028) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide
PubChem CID79186028
Molecular FormulaC11H16N2O2S2
Molecular Weight272.40 g/mol
Exact Mass272.07
IUPAC Name2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide
SMILESCCN(C)S(=O)(=O)c1ccc(CC(N)=S)cc1
InChIInChI=1S/C11H16N2O2S2/c1-3-13(2)17(14,15)10-6-4-9(5-7-10)8-11(12)16/h4-7H,3,8H2,1-2H3,(H2,12,16)
InChIKeyGUKUGEDMYOMHLH-UHFFFAOYSA-N
XLogP1.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(2-amino-2-sulfanylideneethyl)phenyl]sulfonyl-methylamino]-N-ethylacetamide
CID 79186376
2-[4-[butan-2-yl(methyl)sulfamoyl]phenyl]ethanethioamide
CID 79185920
N,4-diethyl-N-methylbenzenesulfonamide
CID 142914245
2-[4-[cyclopropylmethyl(ethyl)sulfamoyl]phenyl]ethanethioamide
CID 79195550
2-(4-methylsulfonylphenyl)ethanethioamide
CID 83969581
N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60824654
2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]acetamide
CID 154513801
2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid
CID 43440524
2-[4-(2-methylbutylsulfamoyl)phenyl]ethanethioamide
CID 79196538
2-[4-(3-methylpentan-2-ylsulfamoyl)phenyl]ethanethioamide
CID 79186045
N-ethyl-4-(ethylamino)-N-methylbenzenesulfonamide
CID 62144614
2-[4-(2-methylsulfonylethylsulfamoyl)phenyl]ethanethioamide
CID 79185811

Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide?
The IUPAC name of 2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide (CID 79186028) is 2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide?
The canonical SMILES for 2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide is CCN(C)S(=O)(=O)c1ccc(CC(N)=S)cc1.
What is the InChIKey of 2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide?
The InChIKey is GUKUGEDMYOMHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-3-13(2)17(14,15)10-6-4-9(5-7-10)8-11(12)16/h4-7H,3,8H2,1-2H3,(H2,12,16).
What are the key properties of 2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide?
2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide has a molecular weight of 272.40 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl(methyl)sulfamoyl]phenyl]ethanethioamide is sourced from PubChem (CID 79186028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).