N-[(4-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

C17H19FN2O3S2 — CID 46684315

IUPACN-[(4-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H19FN2O3S2/c18-14-6-4-13(5-7-14)12-19-17(21)16-15(8-11-24-16)25(22,23)20-9-2-1-3-10-20/h4-8,11H,1-3,9-10,12H2,(H,19,21)
InChIKeyLZNYRYPANCCJMD-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.99
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 46684315) has the molecular formula C17H19FN2O3S2 and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID46684315
Molecular FormulaC17H19FN2O3S2
Molecular Weight382.48 g/mol
Exact Mass382.08
IUPAC NameN-[(4-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H19FN2O3S2/c18-14-6-4-13(5-7-14)12-19-17(21)16-15(8-11-24-16)25(22,23)20-9-2-1-3-10-20/h4-8,11H,1-3,9-10,12H2,(H,19,21)
InChIKeyLZNYRYPANCCJMD-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 46684315) is N-[(4-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is O=C(NCc1ccc(F)cc1)c1sccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is LZNYRYPANCCJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S2/c18-14-6-4-13(5-7-14)12-19-17(21)16-15(8-11-24-16)25(22,23)20-9-2-1-3-10-20/h4-8,11H,1-3,9-10,12H2,(H,19,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 46684315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).