5-tert-butyl-3-[(2,2-dichloroacetyl)amino]thiophene-2-carboxamide

C11H14Cl2N2O2S — CID 2807836

IUPAC5-tert-butyl-3-[(2,2-dichloroacetyl)amino]thiophene-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C(Cl)Cl)c(C(N)=O)s1
InChIInChI=1S/C11H14Cl2N2O2S/c1-11(2,3)6-4-5(7(18-6)9(14)16)15-10(17)8(12)13/h4,8H,1-3H3,(H2,14,16)(H,15,17)
InChIKeyLBAJGGNYWGDSFL-UHFFFAOYSA-N
MW309.22 g/mol
LogP2.89
Rot. Bonds3

About 5-tert-butyl-3-[(2,2-dichloroacetyl)amino]thiophene-2-carboxamide

5-tert-butyl-3-[(2,2-dichloroacetyl)amino]thiophene-2-carboxamide (PubChem CID 2807836) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 5-tert-butyl-3-[(2,2-dichloroacetyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-3-[(2,2-dichloroacetyl)amino]thiophene-2-carboxamide
PubChem CID2807836
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC Name5-tert-butyl-3-[(2,2-dichloroacetyl)amino]thiophene-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C(Cl)Cl)c(C(N)=O)s1
InChIInChI=1S/C11H14Cl2N2O2S/c1-11(2,3)6-4-5(7(18-6)9(14)16)15-10(17)8(12)13/h4,8H,1-3H3,(H2,14,16)(H,15,17)
InChIKeyLBAJGGNYWGDSFL-UHFFFAOYSA-N
XLogP2.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[(2,2-dichloroacetyl)amino]thiophene-2-carboxamide?
The IUPAC name of 5-tert-butyl-3-[(2,2-dichloroacetyl)amino]thiophene-2-carboxamide (CID 2807836) is 5-tert-butyl-3-[(2,2-dichloroacetyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-3-[(2,2-dichloroacetyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 5-tert-butyl-3-[(2,2-dichloroacetyl)amino]thiophene-2-carboxamide is CC(C)(C)c1cc(NC(=O)C(Cl)Cl)c(C(N)=O)s1.
What is the InChIKey of 5-tert-butyl-3-[(2,2-dichloroacetyl)amino]thiophene-2-carboxamide?
The InChIKey is LBAJGGNYWGDSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c1-11(2,3)6-4-5(7(18-6)9(14)16)15-10(17)8(12)13/h4,8H,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of 5-tert-butyl-3-[(2,2-dichloroacetyl)amino]thiophene-2-carboxamide?
5-tert-butyl-3-[(2,2-dichloroacetyl)amino]thiophene-2-carboxamide has a molecular weight of 309.22 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[(2,2-dichloroacetyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 2807836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).