2-(2,2-dimethylpropanoylamino)thiophene-3-carboxamide

C10H14N2O2S — CID 7164100

IUPAC2-(2,2-dimethylpropanoylamino)thiophene-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C10H14N2O2S/c1-10(2,3)9(14)12-8-6(7(11)13)4-5-15-8/h4-5H,1-3H3,(H2,11,13)(H,12,14)
InChIKeyPWFXPQXPLPNHID-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.83
Rot. Bonds2

About 2-(2,2-dimethylpropanoylamino)thiophene-3-carboxamide

2-(2,2-dimethylpropanoylamino)thiophene-3-carboxamide (PubChem CID 7164100) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)thiophene-3-carboxamide
PubChem CID7164100
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(2,2-dimethylpropanoylamino)thiophene-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C10H14N2O2S/c1-10(2,3)9(14)12-8-6(7(11)13)4-5-15-8/h4-5H,1-3H3,(H2,11,13)(H,12,14)
InChIKeyPWFXPQXPLPNHID-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)thiophene-3-carboxamide?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)thiophene-3-carboxamide (CID 7164100) is 2-(2,2-dimethylpropanoylamino)thiophene-3-carboxamide.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)thiophene-3-carboxamide?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)thiophene-3-carboxamide is CC(C)(C)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)thiophene-3-carboxamide?
The InChIKey is PWFXPQXPLPNHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-10(2,3)9(14)12-8-6(7(11)13)4-5-15-8/h4-5H,1-3H3,(H2,11,13)(H,12,14).
What are the key properties of 2-(2,2-dimethylpropanoylamino)thiophene-3-carboxamide?
2-(2,2-dimethylpropanoylamino)thiophene-3-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 7164100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).