5-tert-butyl-N,N-diethylthiophene-2-carboxamide

C13H21NOS — CID 2823754

IUPAC5-tert-butyl-N,N-diethylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(C(C)(C)C)s1
InChIInChI=1S/C13H21NOS/c1-6-14(7-2)12(15)10-8-9-11(16-10)13(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyLXPNJZUJVPJBBF-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.53
Rot. Bonds3

About 5-tert-butyl-N,N-diethylthiophene-2-carboxamide

5-tert-butyl-N,N-diethylthiophene-2-carboxamide (PubChem CID 2823754) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 5-tert-butyl-N,N-diethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N,N-diethylthiophene-2-carboxamide
PubChem CID2823754
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name5-tert-butyl-N,N-diethylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(C(C)(C)C)s1
InChIInChI=1S/C13H21NOS/c1-6-14(7-2)12(15)10-8-9-11(16-10)13(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyLXPNJZUJVPJBBF-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N,N-diethylthiophene-2-carboxamide?
The IUPAC name of 5-tert-butyl-N,N-diethylthiophene-2-carboxamide (CID 2823754) is 5-tert-butyl-N,N-diethylthiophene-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N,N-diethylthiophene-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N,N-diethylthiophene-2-carboxamide is CCN(CC)C(=O)c1ccc(C(C)(C)C)s1.
What is the InChIKey of 5-tert-butyl-N,N-diethylthiophene-2-carboxamide?
The InChIKey is LXPNJZUJVPJBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-6-14(7-2)12(15)10-8-9-11(16-10)13(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 5-tert-butyl-N,N-diethylthiophene-2-carboxamide?
5-tert-butyl-N,N-diethylthiophene-2-carboxamide has a molecular weight of 239.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N,N-diethylthiophene-2-carboxamide is sourced from PubChem (CID 2823754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).