N-tert-butyl-N-fluoro-3-methylthiophene-2-carboxamide

C10H14FNOS — CID 134853477

IUPACN-tert-butyl-N-fluoro-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(F)C(C)(C)C
InChIInChI=1S/C10H14FNOS/c1-7-5-6-14-8(7)9(13)12(11)10(2,3)4/h5-6H,1-4H3
InChIKeyVXQYLXHPCVWAKM-UHFFFAOYSA-N
MW215.29 g/mol
LogP3.18
Rot. Bonds1

About N-tert-butyl-N-fluoro-3-methylthiophene-2-carboxamide

N-tert-butyl-N-fluoro-3-methylthiophene-2-carboxamide (PubChem CID 134853477) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is N-tert-butyl-N-fluoro-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-fluoro-3-methylthiophene-2-carboxamide
PubChem CID134853477
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC NameN-tert-butyl-N-fluoro-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(F)C(C)(C)C
InChIInChI=1S/C10H14FNOS/c1-7-5-6-14-8(7)9(13)12(11)10(2,3)4/h5-6H,1-4H3
InChIKeyVXQYLXHPCVWAKM-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-N-fluoro-3-methylthiophene-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-N-fluoro-3-methylthiophene-2-carboxamide?
The IUPAC name of N-tert-butyl-N-fluoro-3-methylthiophene-2-carboxamide (CID 134853477) is N-tert-butyl-N-fluoro-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-tert-butyl-N-fluoro-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-tert-butyl-N-fluoro-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)N(F)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-fluoro-3-methylthiophene-2-carboxamide?
The InChIKey is VXQYLXHPCVWAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-7-5-6-14-8(7)9(13)12(11)10(2,3)4/h5-6H,1-4H3.
What are the key properties of N-tert-butyl-N-fluoro-3-methylthiophene-2-carboxamide?
N-tert-butyl-N-fluoro-3-methylthiophene-2-carboxamide has a molecular weight of 215.29 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-fluoro-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 134853477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).