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

C18H21FN2O3S2 — CID 16579650

IUPACN-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H21FN2O3S2/c19-15-6-4-14(5-7-15)8-10-20-18(22)17-16(9-13-25-17)26(23,24)21-11-2-1-3-12-21/h4-7,9,13H,1-3,8,10-12H2,(H,20,22)
InChIKeyBXHPHXWXFMVYAR-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.03
Rot. Bonds6

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

N-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 16579650) has the molecular formula C18H21FN2O3S2 and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID16579650
Molecular FormulaC18H21FN2O3S2
Molecular Weight396.51 g/mol
Exact Mass396.10
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H21FN2O3S2/c19-15-6-4-14(5-7-15)8-10-20-18(22)17-16(9-13-25-17)26(23,24)21-11-2-1-3-12-21/h4-7,9,13H,1-3,8,10-12H2,(H,20,22)
InChIKeyBXHPHXWXFMVYAR-UHFFFAOYSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 16579650) is N-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is O=C(NCCc1ccc(F)cc1)c1sccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is BXHPHXWXFMVYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S2/c19-15-6-4-14(5-7-15)8-10-20-18(22)17-16(9-13-25-17)26(23,24)21-11-2-1-3-12-21/h4-7,9,13H,1-3,8,10-12H2,(H,20,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 16579650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).