N-(4-tert-butylphenyl)thiophene-3-carboxamide

C15H17NOS — CID 2815544

IUPACN-(4-tert-butylphenyl)thiophene-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccsc2)cc1
InChIInChI=1S/C15H17NOS/c1-15(2,3)12-4-6-13(7-5-12)16-14(17)11-8-9-18-10-11/h4-10H,1-3H3,(H,16,17)
InChIKeyGWXXYYHTFGPPMB-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.30
Rot. Bonds2

About N-(4-tert-butylphenyl)thiophene-3-carboxamide

N-(4-tert-butylphenyl)thiophene-3-carboxamide (PubChem CID 2815544) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)thiophene-3-carboxamide
PubChem CID2815544
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-(4-tert-butylphenyl)thiophene-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccsc2)cc1
InChIInChI=1S/C15H17NOS/c1-15(2,3)12-4-6-13(7-5-12)16-14(17)11-8-9-18-10-11/h4-10H,1-3H3,(H,16,17)
InChIKeyGWXXYYHTFGPPMB-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)thiophene-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)thiophene-3-carboxamide (CID 2815544) is N-(4-tert-butylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)thiophene-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)thiophene-3-carboxamide is CC(C)(C)c1ccc(NC(=O)c2ccsc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)thiophene-3-carboxamide?
The InChIKey is GWXXYYHTFGPPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-15(2,3)12-4-6-13(7-5-12)16-14(17)11-8-9-18-10-11/h4-10H,1-3H3,(H,16,17).
What are the key properties of N-(4-tert-butylphenyl)thiophene-3-carboxamide?
N-(4-tert-butylphenyl)thiophene-3-carboxamide has a molecular weight of 259.37 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 2815544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).