4-[butyl(methyl)sulfamoyl]thiophene-2-carboxamide

C10H16N2O3S2 — CID 20900829

IUPAC4-[butyl(methyl)sulfamoyl]thiophene-2-carboxamide
SMILESCCCCN(C)S(=O)(=O)c1csc(C(N)=O)c1
InChIInChI=1S/C10H16N2O3S2/c1-3-4-5-12(2)17(14,15)8-6-9(10(11)13)16-7-8/h6-7H,3-5H2,1-2H3,(H2,11,13)
InChIKeyYZNMTEHXWLXQCI-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.27
Rot. Bonds6

About 4-[butyl(methyl)sulfamoyl]thiophene-2-carboxamide

4-[butyl(methyl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 20900829) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[butyl(methyl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[butyl(methyl)sulfamoyl]thiophene-2-carboxamide
PubChem CID20900829
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name4-[butyl(methyl)sulfamoyl]thiophene-2-carboxamide
SMILESCCCCN(C)S(=O)(=O)c1csc(C(N)=O)c1
InChIInChI=1S/C10H16N2O3S2/c1-3-4-5-12(2)17(14,15)8-6-9(10(11)13)16-7-8/h6-7H,3-5H2,1-2H3,(H2,11,13)
InChIKeyYZNMTEHXWLXQCI-UHFFFAOYSA-N
XLogP1.27
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[butyl(methyl)sulfamoyl]thiophene-2-carboxamide (CID 20900829) is 4-[butyl(methyl)sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[butyl(methyl)sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[butyl(methyl)sulfamoyl]thiophene-2-carboxamide is CCCCN(C)S(=O)(=O)c1csc(C(N)=O)c1.
What is the InChIKey of 4-[butyl(methyl)sulfamoyl]thiophene-2-carboxamide?
The InChIKey is YZNMTEHXWLXQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-3-4-5-12(2)17(14,15)8-6-9(10(11)13)16-7-8/h6-7H,3-5H2,1-2H3,(H2,11,13).
What are the key properties of 4-[butyl(methyl)sulfamoyl]thiophene-2-carboxamide?
4-[butyl(methyl)sulfamoyl]thiophene-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 20900829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).