3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide

C15H18N2OS — CID 2735292

IUPAC3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2cc(N)c(C(N)=O)s2)cc1
InChIInChI=1S/C15H18N2OS/c1-15(2,3)10-6-4-9(5-7-10)12-8-11(16)13(19-12)14(17)18/h4-8H,16H2,1-3H3,(H2,17,18)
InChIKeyOGIKEMGUAQEZJE-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.39
Rot. Bonds2

About 3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide

3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide (PubChem CID 2735292) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide
PubChem CID2735292
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2cc(N)c(C(N)=O)s2)cc1
InChIInChI=1S/C15H18N2OS/c1-15(2,3)10-6-4-9(5-7-10)12-8-11(16)13(19-12)14(17)18/h4-8H,16H2,1-3H3,(H2,17,18)
InChIKeyOGIKEMGUAQEZJE-UHFFFAOYSA-N
XLogP3.39
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide (CID 2735292) is 3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide is CC(C)(C)c1ccc(-c2cc(N)c(C(N)=O)s2)cc1.
What is the InChIKey of 3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide?
The InChIKey is OGIKEMGUAQEZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-15(2,3)10-6-4-9(5-7-10)12-8-11(16)13(19-12)14(17)18/h4-8H,16H2,1-3H3,(H2,17,18).
What are the key properties of 3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide?
3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2735292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).