N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide

C10H16N2O3S2 — CID 62223262

IUPACN-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide
SMILESCCCCN(C)C(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C10H16N2O3S2/c1-3-4-5-12(2)10(13)8-6-9(16-7-8)17(11,14)15/h6-7H,3-5H2,1-2H3,(H2,11,14,15)
InChIKeyWPTDOZLAOJFYDB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.27
Rot. Bonds5

About N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide

N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide (PubChem CID 62223262) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide
PubChem CID62223262
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC NameN-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide
SMILESCCCCN(C)C(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C10H16N2O3S2/c1-3-4-5-12(2)10(13)8-6-9(16-7-8)17(11,14)15/h6-7H,3-5H2,1-2H3,(H2,11,14,15)
InChIKeyWPTDOZLAOJFYDB-UHFFFAOYSA-N
XLogP1.27
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide (CID 62223262) is N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide is CCCCN(C)C(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is WPTDOZLAOJFYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-3-4-5-12(2)10(13)8-6-9(16-7-8)17(11,14)15/h6-7H,3-5H2,1-2H3,(H2,11,14,15).
What are the key properties of N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide?
N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 62223262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).