N-benzyl-N-tert-butylthiophene-2-carboxamide

C16H19NOS — CID 574008

IUPACN-benzyl-N-tert-butylthiophene-2-carboxamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C16H19NOS/c1-16(2,3)17(12-13-8-5-4-6-9-13)15(18)14-10-7-11-19-14/h4-11H,12H2,1-3H3
InChIKeyUFFAKEAYVMDIKL-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.19
Rot. Bonds3

About N-benzyl-N-tert-butylthiophene-2-carboxamide

N-benzyl-N-tert-butylthiophene-2-carboxamide (PubChem CID 574008) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-benzyl-N-tert-butylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butylthiophene-2-carboxamide
PubChem CID574008
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-benzyl-N-tert-butylthiophene-2-carboxamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C16H19NOS/c1-16(2,3)17(12-13-8-5-4-6-9-13)15(18)14-10-7-11-19-14/h4-11H,12H2,1-3H3
InChIKeyUFFAKEAYVMDIKL-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butylthiophene-2-carboxamide?
The IUPAC name of N-benzyl-N-tert-butylthiophene-2-carboxamide (CID 574008) is N-benzyl-N-tert-butylthiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-tert-butylthiophene-2-carboxamide?
The canonical SMILES for N-benzyl-N-tert-butylthiophene-2-carboxamide is CC(C)(C)N(Cc1ccccc1)C(=O)c1cccs1.
What is the InChIKey of N-benzyl-N-tert-butylthiophene-2-carboxamide?
The InChIKey is UFFAKEAYVMDIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-16(2,3)17(12-13-8-5-4-6-9-13)15(18)14-10-7-11-19-14/h4-11H,12H2,1-3H3.
What are the key properties of N-benzyl-N-tert-butylthiophene-2-carboxamide?
N-benzyl-N-tert-butylthiophene-2-carboxamide has a molecular weight of 273.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butylthiophene-2-carboxamide is sourced from PubChem (CID 574008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).