5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide

C17H28N2O3S — CID 111485903

IUPAC5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1sc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C17H28N2O3S/c1-7-17(22,8-2)10-18-14(20)13-11(3)9-12(23-13)19-15(21)16(4,5)6/h9,22H,7-8,10H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyVWDZZYCANABDDY-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.32
Rot. Bonds6

About 5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide

5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide (PubChem CID 111485903) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide
PubChem CID111485903
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1sc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C17H28N2O3S/c1-7-17(22,8-2)10-18-14(20)13-11(3)9-12(23-13)19-15(21)16(4,5)6/h9,22H,7-8,10H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyVWDZZYCANABDDY-UHFFFAOYSA-N
XLogP3.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide (CID 111485903) is 5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide is CCC(O)(CC)CNC(=O)c1sc(NC(=O)C(C)(C)C)cc1C.
What is the InChIKey of 5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide?
The InChIKey is VWDZZYCANABDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-7-17(22,8-2)10-18-14(20)13-11(3)9-12(23-13)19-15(21)16(4,5)6/h9,22H,7-8,10H2,1-6H3,(H,18,20)(H,19,21).
What are the key properties of 5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide?
5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 111485903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).