4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide

C14H16N2O3S3 — CID 20937326

IUPAC4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide
SMILESCSc1ccc(CCNS(=O)(=O)c2csc(C(N)=O)c2)cc1
InChIInChI=1S/C14H16N2O3S3/c1-20-11-4-2-10(3-5-11)6-7-16-22(18,19)12-8-13(14(15)17)21-9-12/h2-5,8-9,16H,6-7H2,1H3,(H2,15,17)
InChIKeyYHJIZZBKKWMDJN-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.09
Rot. Bonds7

About 4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide

4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide (PubChem CID 20937326) has the molecular formula C14H16N2O3S3 and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide
PubChem CID20937326
Molecular FormulaC14H16N2O3S3
Molecular Weight356.49 g/mol
Exact Mass356.03
IUPAC Name4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide
SMILESCSc1ccc(CCNS(=O)(=O)c2csc(C(N)=O)c2)cc1
InChIInChI=1S/C14H16N2O3S3/c1-20-11-4-2-10(3-5-11)6-7-16-22(18,19)12-8-13(14(15)17)21-9-12/h2-5,8-9,16H,6-7H2,1H3,(H2,15,17)
InChIKeyYHJIZZBKKWMDJN-UHFFFAOYSA-N
XLogP2.09
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide (CID 20937326) is 4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide is CSc1ccc(CCNS(=O)(=O)c2csc(C(N)=O)c2)cc1.
What is the InChIKey of 4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide?
The InChIKey is YHJIZZBKKWMDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S3/c1-20-11-4-2-10(3-5-11)6-7-16-22(18,19)12-8-13(14(15)17)21-9-12/h2-5,8-9,16H,6-7H2,1H3,(H2,15,17).
What are the key properties of 4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide?
4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 20937326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).