N-[2-(4-tert-butylphenoxy)-3-pyridinyl]thiophene-2-carboxamide

C20H20N2O2S — CID 2728416

IUPACN-[2-(4-tert-butylphenoxy)-3-pyridinyl]thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(Oc2ncccc2NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H20N2O2S/c1-20(2,3)14-8-10-15(11-9-14)24-19-16(6-4-12-21-19)22-18(23)17-7-5-13-25-17/h4-13H,1-3H3,(H,22,23)
InChIKeyLPUSHNYJNIYVNJ-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.49
Rot. Bonds4

About N-[2-(4-tert-butylphenoxy)-3-pyridinyl]thiophene-2-carboxamide

N-[2-(4-tert-butylphenoxy)-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 2728416) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)-3-pyridinyl]thiophene-2-carboxamide
PubChem CID2728416
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[2-(4-tert-butylphenoxy)-3-pyridinyl]thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(Oc2ncccc2NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H20N2O2S/c1-20(2,3)14-8-10-15(11-9-14)24-19-16(6-4-12-21-19)22-18(23)17-7-5-13-25-17/h4-13H,1-3H3,(H,22,23)
InChIKeyLPUSHNYJNIYVNJ-UHFFFAOYSA-N
XLogP5.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-tert-butylphenoxy)-3-pyridinyl]thiophene-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

Related Compounds

1-[6-(4-Tert-butylphenoxy)pyridin-3-yl]-3-thiophen-2-ylurea
CID 2814277
N-{6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl}-2-thiophenecarboxamide
CID 2814188
N-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-2-thiophenecarboxamide
CID 2814266
N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877944
4-(4-tert-Butyl-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9967126
3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-2-yl-1H-[2,4'']bipyridinyl-6-one
CID 10970792
1-(5-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(pyridin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11648145
N-hydroxy-5-(5-((2-phenoxyethylamino)methyl)pyridin-2-yl)thiophene-2-carboxamide
CID 11696355
5-(4-Methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 11784052
N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)benzo[b]thiophene-3-carboxamide
CID 44251314
2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67511214
5-[[3-(Thiophene-2-carbonylamino)phenyl]methoxy]pyridine-3-carboxamide
CID 124156582

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)-3-pyridinyl]thiophene-2-carboxamide (CID 2728416) is N-[2-(4-tert-butylphenoxy)-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)-3-pyridinyl]thiophene-2-carboxamide is CC(C)(C)c1ccc(Oc2ncccc2NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is LPUSHNYJNIYVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-20(2,3)14-8-10-15(11-9-14)24-19-16(6-4-12-21-19)22-18(23)17-7-5-13-25-17/h4-13H,1-3H3,(H,22,23).
What are the key properties of N-[2-(4-tert-butylphenoxy)-3-pyridinyl]thiophene-2-carboxamide?
N-[2-(4-tert-butylphenoxy)-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 2728416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).