N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylthiophene-2-carboxamide

C18H22FNO2S — CID 4052235

IUPACN-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CCCC(O)c1ccc(F)cc1)C(=O)c1cccs1
InChIInChI=1S/C18H22FNO2S/c1-13(2)20(18(22)17-6-4-12-23-17)11-3-5-16(21)14-7-9-15(19)10-8-14/h4,6-10,12-13,16,21H,3,5,11H2,1-2H3
InChIKeySBQBHKOPZICODL-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.25
Rot. Bonds7

About N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylthiophene-2-carboxamide

N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 4052235) has the molecular formula C18H22FNO2S and a molecular weight of 335.44 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylthiophene-2-carboxamide
PubChem CID4052235
Molecular FormulaC18H22FNO2S
Molecular Weight335.44 g/mol
Exact Mass335.14
IUPAC NameN-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CCCC(O)c1ccc(F)cc1)C(=O)c1cccs1
InChIInChI=1S/C18H22FNO2S/c1-13(2)20(18(22)17-6-4-12-23-17)11-3-5-16(21)14-7-9-15(19)10-8-14/h4,6-10,12-13,16,21H,3,5,11H2,1-2H3
InChIKeySBQBHKOPZICODL-UHFFFAOYSA-N
XLogP4.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylthiophene-2-carboxamide (CID 4052235) is N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(CCCC(O)c1ccc(F)cc1)C(=O)c1cccs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is SBQBHKOPZICODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2S/c1-13(2)20(18(22)17-6-4-12-23-17)11-3-5-16(21)14-7-9-15(19)10-8-14/h4,6-10,12-13,16,21H,3,5,11H2,1-2H3.
What are the key properties of N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylthiophene-2-carboxamide?
N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 335.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 4052235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).