N-tert-butyl-3-formylthiophene-2-carboxamide

C10H13NO2S — CID 13497919

IUPACN-tert-butyl-3-formylthiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1sccc1C=O
InChIInChI=1S/C10H13NO2S/c1-10(2,3)11-9(13)8-7(6-12)4-5-14-8/h4-6H,1-3H3,(H,11,13)
InChIKeyOTDSLHXPGONJPL-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.09
Rot. Bonds2

About N-tert-butyl-3-formylthiophene-2-carboxamide

N-tert-butyl-3-formylthiophene-2-carboxamide (PubChem CID 13497919) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-tert-butyl-3-formylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-formylthiophene-2-carboxamide
PubChem CID13497919
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-tert-butyl-3-formylthiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1sccc1C=O
InChIInChI=1S/C10H13NO2S/c1-10(2,3)11-9(13)8-7(6-12)4-5-14-8/h4-6H,1-3H3,(H,11,13)
InChIKeyOTDSLHXPGONJPL-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-tert-butyl-3-formylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-formylthiophene-2-carboxamide?
The IUPAC name of N-tert-butyl-3-formylthiophene-2-carboxamide (CID 13497919) is N-tert-butyl-3-formylthiophene-2-carboxamide.
What is the SMILES notation for N-tert-butyl-3-formylthiophene-2-carboxamide?
The canonical SMILES for N-tert-butyl-3-formylthiophene-2-carboxamide is CC(C)(C)NC(=O)c1sccc1C=O.
What is the InChIKey of N-tert-butyl-3-formylthiophene-2-carboxamide?
The InChIKey is OTDSLHXPGONJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-10(2,3)11-9(13)8-7(6-12)4-5-14-8/h4-6H,1-3H3,(H,11,13).
What are the key properties of N-tert-butyl-3-formylthiophene-2-carboxamide?
N-tert-butyl-3-formylthiophene-2-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-formylthiophene-2-carboxamide is sourced from PubChem (CID 13497919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).