N-ethylsulfonyl-4-methylthiophene-2-carboxamide

C8H11NO3S2 — CID 136546688

IUPACN-ethylsulfonyl-4-methylthiophene-2-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1cc(C)cs1
InChIInChI=1S/C8H11NO3S2/c1-3-14(11,12)9-8(10)7-4-6(2)5-13-7/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyIBAOFRNJSVIWHZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.14
Rot. Bonds3

About N-ethylsulfonyl-4-methylthiophene-2-carboxamide

N-ethylsulfonyl-4-methylthiophene-2-carboxamide (PubChem CID 136546688) has the molecular formula C8H11NO3S2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-ethylsulfonyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethylsulfonyl-4-methylthiophene-2-carboxamide
PubChem CID136546688
Molecular FormulaC8H11NO3S2
Molecular Weight233.31 g/mol
Exact Mass233.02
IUPAC NameN-ethylsulfonyl-4-methylthiophene-2-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1cc(C)cs1
InChIInChI=1S/C8H11NO3S2/c1-3-14(11,12)9-8(10)7-4-6(2)5-13-7/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyIBAOFRNJSVIWHZ-UHFFFAOYSA-N
XLogP1.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thieno-saccharine
CID 139595901
4-[(3-Methyl-1-piperidinyl)sulfonyl]-2-thiophenecarboxamide
CID 6486032
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-(Thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 6486060
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

Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-ethylsulfonyl-4-methylthiophene-2-carboxamide (CID 136546688) is N-ethylsulfonyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-ethylsulfonyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-ethylsulfonyl-4-methylthiophene-2-carboxamide is CCS(=O)(=O)NC(=O)c1cc(C)cs1.
What is the InChIKey of N-ethylsulfonyl-4-methylthiophene-2-carboxamide?
The InChIKey is IBAOFRNJSVIWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S2/c1-3-14(11,12)9-8(10)7-4-6(2)5-13-7/h4-5H,3H2,1-2H3,(H,9,10).
What are the key properties of N-ethylsulfonyl-4-methylthiophene-2-carboxamide?
N-ethylsulfonyl-4-methylthiophene-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 136546688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).