5-(2,2-dimethylpropanoylamino)-N-(2-hydroxyphenyl)-3-methylthiophene-2-carboxamide

C17H20N2O3S — CID 17392362

IUPAC5-(2,2-dimethylpropanoylamino)-N-(2-hydroxyphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccccc1O
InChIInChI=1S/C17H20N2O3S/c1-10-9-13(19-16(22)17(2,3)4)23-14(10)15(21)18-11-7-5-6-8-12(11)20/h5-9,20H,1-4H3,(H,18,21)(H,19,22)
InChIKeyXTZVTXYYZCJREJ-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.00
Rot. Bonds3

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

5-(2,2-dimethylpropanoylamino)-N-(2-hydroxyphenyl)-3-methylthiophene-2-carboxamide (PubChem CID 17392362) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoylamino)-N-(2-hydroxyphenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoylamino)-N-(2-hydroxyphenyl)-3-methylthiophene-2-carboxamide
PubChem CID17392362
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name5-(2,2-dimethylpropanoylamino)-N-(2-hydroxyphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccccc1O
InChIInChI=1S/C17H20N2O3S/c1-10-9-13(19-16(22)17(2,3)4)23-14(10)15(21)18-11-7-5-6-8-12(11)20/h5-9,20H,1-4H3,(H,18,21)(H,19,22)
InChIKeyXTZVTXYYZCJREJ-UHFFFAOYSA-N
XLogP4.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoylamino)-N-(2-hydroxyphenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropanoylamino)-N-(2-hydroxyphenyl)-3-methylthiophene-2-carboxamide (CID 17392362) is 5-(2,2-dimethylpropanoylamino)-N-(2-hydroxyphenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoylamino)-N-(2-hydroxyphenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropanoylamino)-N-(2-hydroxyphenyl)-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccccc1O.
What is the InChIKey of 5-(2,2-dimethylpropanoylamino)-N-(2-hydroxyphenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is XTZVTXYYZCJREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-10-9-13(19-16(22)17(2,3)4)23-14(10)15(21)18-11-7-5-6-8-12(11)20/h5-9,20H,1-4H3,(H,18,21)(H,19,22).
What are the key properties of 5-(2,2-dimethylpropanoylamino)-N-(2-hydroxyphenyl)-3-methylthiophene-2-carboxamide?
5-(2,2-dimethylpropanoylamino)-N-(2-hydroxyphenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 4.00, 3 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-hydroxyphenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 17392362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).