5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide

C14H22N2O2S — CID 65355092

IUPAC5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCc1c(C(=O)NC(C)C)sc(N)c1C(=O)C(C)(C)C
InChIInChI=1S/C14H22N2O2S/c1-7(2)16-13(18)10-8(3)9(12(15)19-10)11(17)14(4,5)6/h7H,15H2,1-6H3,(H,16,18)
InChIKeyWATUYTBZJIGNBQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.01
Rot. Bonds3

About 5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide

5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 65355092) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide
PubChem CID65355092
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCc1c(C(=O)NC(C)C)sc(N)c1C(=O)C(C)(C)C
InChIInChI=1S/C14H22N2O2S/c1-7(2)16-13(18)10-8(3)9(12(15)19-10)11(17)14(4,5)6/h7H,15H2,1-6H3,(H,16,18)
InChIKeyWATUYTBZJIGNBQ-UHFFFAOYSA-N
XLogP3.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide (CID 65355092) is 5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide is Cc1c(C(=O)NC(C)C)sc(N)c1C(=O)C(C)(C)C.
What is the InChIKey of 5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is WATUYTBZJIGNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-7(2)16-13(18)10-8(3)9(12(15)19-10)11(17)14(4,5)6/h7H,15H2,1-6H3,(H,16,18).
What are the key properties of 5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide?
5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 65355092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).