N-benzyl-N-propan-2-ylthiophene-2-carboxamide

C15H17NOS — CID 668925

IUPACN-benzyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C15H17NOS/c1-12(2)16(11-13-7-4-3-5-8-13)15(17)14-9-6-10-18-14/h3-10,12H,11H2,1-2H3
InChIKeyYEUCGFRIMXQMTO-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.80
Rot. Bonds4

About N-benzyl-N-propan-2-ylthiophene-2-carboxamide

N-benzyl-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 668925) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-benzyl-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-ylthiophene-2-carboxamide
PubChem CID668925
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-benzyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C15H17NOS/c1-12(2)16(11-13-7-4-3-5-8-13)15(17)14-9-6-10-18-14/h3-10,12H,11H2,1-2H3
InChIKeyYEUCGFRIMXQMTO-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-benzyl-N-propan-2-ylthiophene-2-carboxamide (CID 668925) is N-benzyl-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-benzyl-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cccs1.
What is the InChIKey of N-benzyl-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is YEUCGFRIMXQMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-12(2)16(11-13-7-4-3-5-8-13)15(17)14-9-6-10-18-14/h3-10,12H,11H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-ylthiophene-2-carboxamide?
N-benzyl-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 259.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 668925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).