4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide

C12H20N2O3S2 — CID 6502980

IUPAC4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide
SMILESCCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)c(C)s1
InChIInChI=1S/C12H20N2O3S2/c1-6-13-11(15)9-7-10(8(2)18-9)19(16,17)14-12(3,4)5/h7,14H,6H2,1-5H3,(H,13,15)
InChIKeyKWLNTQWALRNFDZ-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.88
Rot. Bonds4

About 4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide

4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide (PubChem CID 6502980) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide
PubChem CID6502980
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide
SMILESCCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)c(C)s1
InChIInChI=1S/C12H20N2O3S2/c1-6-13-11(15)9-7-10(8(2)18-9)19(16,17)14-12(3,4)5/h7,14H,6H2,1-5H3,(H,13,15)
InChIKeyKWLNTQWALRNFDZ-UHFFFAOYSA-N
XLogP1.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide (CID 6502980) is 4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide is CCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)c(C)s1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide?
The InChIKey is KWLNTQWALRNFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-6-13-11(15)9-7-10(8(2)18-9)19(16,17)14-12(3,4)5/h7,14H,6H2,1-5H3,(H,13,15).
What are the key properties of 4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide?
4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 6502980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).