N-butan-2-yl-4-(dimethylsulfamoyl)-5-methylthiophene-2-carboxamide

C12H20N2O3S2 — CID 6502723

IUPACN-butan-2-yl-4-(dimethylsulfamoyl)-5-methylthiophene-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)s1
InChIInChI=1S/C12H20N2O3S2/c1-6-8(2)13-12(15)10-7-11(9(3)18-10)19(16,17)14(4)5/h7-8H,6H2,1-5H3,(H,13,15)
InChIKeyLPTNRYZVBBTELI-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.84
Rot. Bonds5

About N-butan-2-yl-4-(dimethylsulfamoyl)-5-methylthiophene-2-carboxamide

N-butan-2-yl-4-(dimethylsulfamoyl)-5-methylthiophene-2-carboxamide (PubChem CID 6502723) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-butan-2-yl-4-(dimethylsulfamoyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(dimethylsulfamoyl)-5-methylthiophene-2-carboxamide
PubChem CID6502723
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN-butan-2-yl-4-(dimethylsulfamoyl)-5-methylthiophene-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)s1
InChIInChI=1S/C12H20N2O3S2/c1-6-8(2)13-12(15)10-7-11(9(3)18-10)19(16,17)14(4)5/h7-8H,6H2,1-5H3,(H,13,15)
InChIKeyLPTNRYZVBBTELI-UHFFFAOYSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(dimethylsulfamoyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-butan-2-yl-4-(dimethylsulfamoyl)-5-methylthiophene-2-carboxamide (CID 6502723) is N-butan-2-yl-4-(dimethylsulfamoyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(dimethylsulfamoyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(dimethylsulfamoyl)-5-methylthiophene-2-carboxamide is CCC(C)NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)s1.
What is the InChIKey of N-butan-2-yl-4-(dimethylsulfamoyl)-5-methylthiophene-2-carboxamide?
The InChIKey is LPTNRYZVBBTELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-6-8(2)13-12(15)10-7-11(9(3)18-10)19(16,17)14(4)5/h7-8H,6H2,1-5H3,(H,13,15).
What are the key properties of N-butan-2-yl-4-(dimethylsulfamoyl)-5-methylthiophene-2-carboxamide?
N-butan-2-yl-4-(dimethylsulfamoyl)-5-methylthiophene-2-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(dimethylsulfamoyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 6502723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).