5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide

C12H12N2O2S3 — CID 106270162

IUPAC5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(N)=S)s2)c1
InChIInChI=1S/C12H12N2O2S3/c1-8-3-2-4-9(7-8)14-19(15,16)11-6-5-10(18-11)12(13)17/h2-7,14H,1H3,(H2,13,17)
InChIKeyYGEQVJRHNDUBTE-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.49
Rot. Bonds4

About 5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide

5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106270162) has the molecular formula C12H12N2O2S3 and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106270162
Molecular FormulaC12H12N2O2S3
Molecular Weight312.44 g/mol
Exact Mass312.01
IUPAC Name5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(N)=S)s2)c1
InChIInChI=1S/C12H12N2O2S3/c1-8-3-2-4-9(7-8)14-19(15,16)11-6-5-10(18-11)12(13)17/h2-7,14H,1H3,(H2,13,17)
InChIKeyYGEQVJRHNDUBTE-UHFFFAOYSA-N
XLogP2.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.49
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

5-(phenylsulfamoyl)thiophene-2-carbothioamide
CID 114166525
5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271772
3-[(5-methylthiophen-2-yl)sulfonylamino]benzenecarbothioamide
CID 29298153
5-[(4-bromo-2-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106269968
5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide
CID 106270146
5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271389
3-[(5-bromothiophen-2-yl)sulfonylamino]benzenecarbothioamide
CID 43343845
5-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272038
5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272013
5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270086
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide
CID 106270396
5-(pyridin-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106269900

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide (CID 106270162) is 5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide is Cc1cccc(NS(=O)(=O)c2ccc(C(N)=S)s2)c1.
What is the InChIKey of 5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is YGEQVJRHNDUBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S3/c1-8-3-2-4-9(7-8)14-19(15,16)11-6-5-10(18-11)12(13)17/h2-7,14H,1H3,(H2,13,17).
What are the key properties of 5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide?
5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 312.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106270162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).