N-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide

C13H14N2O3S3 — CID 4615674

IUPACN-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCSc1cccc(NC(=O)CNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C13H14N2O3S3/c1-19-11-5-2-4-10(8-11)15-12(16)9-14-21(17,18)13-6-3-7-20-13/h2-8,14H,9H2,1H3,(H,15,16)
InChIKeyVMRJERHNCWULMU-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.39
Rot. Bonds6

About N-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide

N-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 4615674) has the molecular formula C13H14N2O3S3 and a molecular weight of 342.47 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID4615674
Molecular FormulaC13H14N2O3S3
Molecular Weight342.47 g/mol
Exact Mass342.02
IUPAC NameN-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCSc1cccc(NC(=O)CNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C13H14N2O3S3/c1-19-11-5-2-4-10(8-11)15-12(16)9-14-21(17,18)13-6-3-7-20-13/h2-8,14H,9H2,1H3,(H,15,16)
InChIKeyVMRJERHNCWULMU-UHFFFAOYSA-N
XLogP2.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 4615673
N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 3238020
dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 55676636
N-(4-acetylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 15995650
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55993123
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 30266955
N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 31973756
N-(3-methylsulfanylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 27096610
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 31975893
1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea
CID 108889171
N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 112997887

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide (CID 4615674) is N-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide is CSc1cccc(NC(=O)CNS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is VMRJERHNCWULMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S3/c1-19-11-5-2-4-10(8-11)15-12(16)9-14-21(17,18)13-6-3-7-20-13/h2-8,14H,9H2,1H3,(H,15,16).
What are the key properties of N-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
N-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 342.47 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 4615674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).