N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide

C11H18N2O3S2 — CID 112689674

IUPACN,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)CC(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O3S2/c1-7(2)6-13(4)11(14)9-5-10(8(3)17-9)18(12,15)16/h5,7H,6H2,1-4H3,(H2,12,15,16)
InChIKeyAQVWLFPHBVJOHQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.43
Rot. Bonds4

About N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide

N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide (PubChem CID 112689674) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide
PubChem CID112689674
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC NameN,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)CC(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O3S2/c1-7(2)6-13(4)11(14)9-5-10(8(3)17-9)18(12,15)16/h5,7H,6H2,1-4H3,(H2,12,15,16)
InChIKeyAQVWLFPHBVJOHQ-UHFFFAOYSA-N
XLogP1.43
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide (CID 112689674) is N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide is Cc1sc(C(=O)N(C)CC(C)C)cc1S(N)(=O)=O.
What is the InChIKey of N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide?
The InChIKey is AQVWLFPHBVJOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-7(2)6-13(4)11(14)9-5-10(8(3)17-9)18(12,15)16/h5,7H,6H2,1-4H3,(H2,12,15,16).
What are the key properties of N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide?
N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide is sourced from PubChem (CID 112689674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).