N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide

C9H13NO3S2 — CID 59492434

IUPACN-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1sccc1C(=O)NS(C)(=O)=O
InChIInChI=1S/C9H13NO3S2/c1-6(2)8-7(4-5-14-8)9(11)10-15(3,12)13/h4-6H,1-3H3,(H,10,11)
InChIKeyBFEIVARQXHJBIN-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.56
Rot. Bonds3

About N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide

N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide (PubChem CID 59492434) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide
PubChem CID59492434
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC NameN-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1sccc1C(=O)NS(C)(=O)=O
InChIInChI=1S/C9H13NO3S2/c1-6(2)8-7(4-5-14-8)9(11)10-15(3,12)13/h4-6H,1-3H3,(H,10,11)
InChIKeyBFEIVARQXHJBIN-UHFFFAOYSA-N
XLogP1.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Benzylsulfamoyl)thiophene-2-carboxamide
CID 6486045
4-{[(2-Phenylethyl)amino]sulfonyl}-2-thiophenecarboxamide
CID 6486061
4-{[(2-Methylphenyl)methyl]sulfamoyl}thiophene-2-carboxamide
CID 16025119
3-Methylthiophene-2-carboxamide
CID 588128
4-{[(3-Phenylpropyl)amino]sulfonyl}thiophene-2-carboxamide
CID 20900815
4-{[(3-Methylphenyl)methyl]sulfamoyl}thiophene-2-carboxamide
CID 16025141
4-[(4-Fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide
CID 20842956
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
4-[Benzyl(ethyl)sulfamoyl]thiophene-2-carboxamide
CID 20900842

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide (CID 59492434) is N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide is CC(C)c1sccc1C(=O)NS(C)(=O)=O.
What is the InChIKey of N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide?
The InChIKey is BFEIVARQXHJBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c1-6(2)8-7(4-5-14-8)9(11)10-15(3,12)13/h4-6H,1-3H3,(H,10,11).
What are the key properties of N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide?
N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 59492434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).