N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide

C13H20N2O3S2 — CID 115612426

IUPACN-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide
SMILESCCCCN(C(=O)c1cc(S(N)(=O)=O)c(C)s1)C1CC1
InChIInChI=1S/C13H20N2O3S2/c1-3-4-7-15(10-5-6-10)13(16)11-8-12(9(2)19-11)20(14,17)18/h8,10H,3-7H2,1-2H3,(H2,14,17,18)
InChIKeyBTYKNTILBWCRDD-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.11
Rot. Bonds6

About N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide

N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide (PubChem CID 115612426) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide
PubChem CID115612426
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide
SMILESCCCCN(C(=O)c1cc(S(N)(=O)=O)c(C)s1)C1CC1
InChIInChI=1S/C13H20N2O3S2/c1-3-4-7-15(10-5-6-10)13(16)11-8-12(9(2)19-11)20(14,17)18/h8,10H,3-7H2,1-2H3,(H2,14,17,18)
InChIKeyBTYKNTILBWCRDD-UHFFFAOYSA-N
XLogP2.11
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide?
The IUPAC name of N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide (CID 115612426) is N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide.
What is the SMILES notation for N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide?
The canonical SMILES for N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide is CCCCN(C(=O)c1cc(S(N)(=O)=O)c(C)s1)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide?
The InChIKey is BTYKNTILBWCRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-3-4-7-15(10-5-6-10)13(16)11-8-12(9(2)19-11)20(14,17)18/h8,10H,3-7H2,1-2H3,(H2,14,17,18).
What are the key properties of N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide?
N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide is sourced from PubChem (CID 115612426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).