N-(3,5-ditert-butylthiophen-2-yl)formamide

C13H21NOS — CID 14954995

IUPACN-(3,5-ditert-butylthiophen-2-yl)formamide
SMILESCC(C)(C)c1cc(C(C)(C)C)c(NC=O)s1
InChIInChI=1S/C13H21NOS/c1-12(2,3)9-7-10(13(4,5)6)16-11(9)14-8-15/h7-8H,1-6H3,(H,14,15)
InChIKeyUINSLRCNGLVXNZ-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.91
Rot. Bonds2

About N-(3,5-ditert-butylthiophen-2-yl)formamide

N-(3,5-ditert-butylthiophen-2-yl)formamide (PubChem CID 14954995) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-(3,5-ditert-butylthiophen-2-yl)formamide.

Molecular Properties

Compound NameN-(3,5-ditert-butylthiophen-2-yl)formamide
PubChem CID14954995
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-(3,5-ditert-butylthiophen-2-yl)formamide
SMILESCC(C)(C)c1cc(C(C)(C)C)c(NC=O)s1
InChIInChI=1S/C13H21NOS/c1-12(2,3)9-7-10(13(4,5)6)16-11(9)14-8-15/h7-8H,1-6H3,(H,14,15)
InChIKeyUINSLRCNGLVXNZ-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,5-ditert-butylthiophen-2-yl)formamide 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-(3,5-ditert-butylthiophen-2-yl)formamide?
The IUPAC name of N-(3,5-ditert-butylthiophen-2-yl)formamide (CID 14954995) is N-(3,5-ditert-butylthiophen-2-yl)formamide.
What is the SMILES notation for N-(3,5-ditert-butylthiophen-2-yl)formamide?
The canonical SMILES for N-(3,5-ditert-butylthiophen-2-yl)formamide is CC(C)(C)c1cc(C(C)(C)C)c(NC=O)s1.
What is the InChIKey of N-(3,5-ditert-butylthiophen-2-yl)formamide?
The InChIKey is UINSLRCNGLVXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-12(2,3)9-7-10(13(4,5)6)16-11(9)14-8-15/h7-8H,1-6H3,(H,14,15).
What are the key properties of N-(3,5-ditert-butylthiophen-2-yl)formamide?
N-(3,5-ditert-butylthiophen-2-yl)formamide has a molecular weight of 239.38 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butylthiophen-2-yl)formamide is sourced from PubChem (CID 14954995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).