2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide

C14H16N2O2S3 — CID 79203391

IUPAC2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide
SMILESCC(NS(=O)(=O)c1ccc(CC(N)=S)cc1)c1ccsc1
InChIInChI=1S/C14H16N2O2S3/c1-10(12-6-7-20-9-12)16-21(17,18)13-4-2-11(3-5-13)8-14(15)19/h2-7,9-10,16H,8H2,1H3,(H2,15,19)
InChIKeyBRACPJVNQANSRU-UHFFFAOYSA-N
MW340.50 g/mol
LogP2.62
Rot. Bonds6

About 2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide

2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide (PubChem CID 79203391) has the molecular formula C14H16N2O2S3 and a molecular weight of 340.50 g/mol. Its IUPAC name is 2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide
PubChem CID79203391
Molecular FormulaC14H16N2O2S3
Molecular Weight340.50 g/mol
Exact Mass340.04
IUPAC Name2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide
SMILESCC(NS(=O)(=O)c1ccc(CC(N)=S)cc1)c1ccsc1
InChIInChI=1S/C14H16N2O2S3/c1-10(12-6-7-20-9-12)16-21(17,18)13-4-2-11(3-5-13)8-14(15)19/h2-7,9-10,16H,8H2,1H3,(H2,15,19)
InChIKeyBRACPJVNQANSRU-UHFFFAOYSA-N
XLogP2.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844441
4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844597
4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 55130085
2-[4-(3-methylpentan-2-ylsulfamoyl)phenyl]ethanethioamide
CID 79186045
2-[4-(2-methylbutylsulfamoyl)phenyl]ethanethioamide
CID 79196538
4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844268
2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 62841892
2-chloro-4-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 107090063
2-[4-(2-methylsulfonylethylsulfamoyl)phenyl]ethanethioamide
CID 79185811
3-(aminomethyl)-2,5-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 106056522
1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 106056537
N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 64586301

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide?
The IUPAC name of 2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide (CID 79203391) is 2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide?
The canonical SMILES for 2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide is CC(NS(=O)(=O)c1ccc(CC(N)=S)cc1)c1ccsc1.
What is the InChIKey of 2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide?
The InChIKey is BRACPJVNQANSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S3/c1-10(12-6-7-20-9-12)16-21(17,18)13-4-2-11(3-5-13)8-14(15)19/h2-7,9-10,16H,8H2,1H3,(H2,15,19).
What are the key properties of 2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide?
2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide has a molecular weight of 340.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide is sourced from PubChem (CID 79203391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).