5-methyl-N-methylsulfonylthiophene-3-carboxamide

C7H9NO3S2 — CID 130710562

IUPAC5-methyl-N-methylsulfonylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NS(C)(=O)=O)cs1
InChIInChI=1S/C7H9NO3S2/c1-5-3-6(4-12-5)7(9)8-13(2,10)11/h3-4H,1-2H3,(H,8,9)
InChIKeyQQDWXPMGIKLEED-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.75
Rot. Bonds2

About 5-methyl-N-methylsulfonylthiophene-3-carboxamide

5-methyl-N-methylsulfonylthiophene-3-carboxamide (PubChem CID 130710562) has the molecular formula C7H9NO3S2 and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-methyl-N-methylsulfonylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-methylsulfonylthiophene-3-carboxamide
PubChem CID130710562
Molecular FormulaC7H9NO3S2
Molecular Weight219.29 g/mol
Exact Mass219.00
IUPAC Name5-methyl-N-methylsulfonylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NS(C)(=O)=O)cs1
InChIInChI=1S/C7H9NO3S2/c1-5-3-6(4-12-5)7(9)8-13(2,10)11/h3-4H,1-2H3,(H,8,9)
InChIKeyQQDWXPMGIKLEED-UHFFFAOYSA-N
XLogP0.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Thiophenecarboxamide
CID 22063
Thieno-saccharine
CID 139595901
4-[(3-Methyl-1-piperidinyl)sulfonyl]-2-thiophenecarboxamide
CID 6486032
4-(Benzylsulfamoyl)thiophene-2-carboxamide
CID 6486045
4-Methylthiophene-2-carbohydrazide
CID 2808207
3-Methylthiophene-2-carboxamide
CID 588128
N-(thiophene-2-sulfonyl)benzamide
CID 738706
3-Sulfamoylthiophene-2-carboxamide
CID 18331866
2-Methylthiophene-3-carboxamide
CID 21837037
4-Methylthiophene-2-carboxamide
CID 2795529
N-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide
CID 23548730
4-Ethenyl-3-methyl-5-methylsulfonylthiophene-2-carboxamide
CID 24125675

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-methylsulfonylthiophene-3-carboxamide?
The IUPAC name of 5-methyl-N-methylsulfonylthiophene-3-carboxamide (CID 130710562) is 5-methyl-N-methylsulfonylthiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-N-methylsulfonylthiophene-3-carboxamide?
The canonical SMILES for 5-methyl-N-methylsulfonylthiophene-3-carboxamide is Cc1cc(C(=O)NS(C)(=O)=O)cs1.
What is the InChIKey of 5-methyl-N-methylsulfonylthiophene-3-carboxamide?
The InChIKey is QQDWXPMGIKLEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S2/c1-5-3-6(4-12-5)7(9)8-13(2,10)11/h3-4H,1-2H3,(H,8,9).
What are the key properties of 5-methyl-N-methylsulfonylthiophene-3-carboxamide?
5-methyl-N-methylsulfonylthiophene-3-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-methylsulfonylthiophene-3-carboxamide is sourced from PubChem (CID 130710562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).