5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C11H15F3N2O3S2 — CID 115994133

IUPAC5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(CC(F)(F)F)C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C11H15F3N2O3S2/c1-6(2)16(5-11(12,13)14)10(17)8-4-9(7(3)20-8)21(15,18)19/h4,6H,5H2,1-3H3,(H2,15,18,19)
InChIKeyTUXTZVODEOPZPF-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.12
Rot. Bonds4

About 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 115994133) has the molecular formula C11H15F3N2O3S2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID115994133
Molecular FormulaC11H15F3N2O3S2
Molecular Weight344.38 g/mol
Exact Mass344.05
IUPAC Name5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(CC(F)(F)F)C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C11H15F3N2O3S2/c1-6(2)16(5-11(12,13)14)10(17)8-4-9(7(3)20-8)21(15,18)19/h4,6H,5H2,1-3H3,(H2,15,18,19)
InChIKeyTUXTZVODEOPZPF-UHFFFAOYSA-N
XLogP2.12
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 115994133) is 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is Cc1sc(C(=O)N(CC(F)(F)F)C(C)C)cc1S(N)(=O)=O.
What is the InChIKey of 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is TUXTZVODEOPZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S2/c1-6(2)16(5-11(12,13)14)10(17)8-4-9(7(3)20-8)21(15,18)19/h4,6H,5H2,1-3H3,(H2,15,18,19).
What are the key properties of 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 115994133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).