N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide

C16H17FN2O3S2 — CID 1252955

IUPACN-(4-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C16H17FN2O3S2/c17-12-4-6-13(7-5-12)18-16(20)15-10-14(11-23-15)24(21,22)19-8-2-1-3-9-19/h4-7,10-11H,1-3,8-9H2,(H,18,20)
InChIKeyDWJCXYCEHCFLOW-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.31
Rot. Bonds4

About N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 1252955) has the molecular formula C16H17FN2O3S2 and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID1252955
Molecular FormulaC16H17FN2O3S2
Molecular Weight368.46 g/mol
Exact Mass368.07
IUPAC NameN-(4-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C16H17FN2O3S2/c17-12-4-6-13(7-5-12)18-16(20)15-10-14(11-23-15)24(21,22)19-8-2-1-3-9-19/h4-7,10-11H,1-3,8-9H2,(H,18,20)
InChIKeyDWJCXYCEHCFLOW-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 1252955) is N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)cs1.
What is the InChIKey of N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is DWJCXYCEHCFLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S2/c17-12-4-6-13(7-5-12)18-16(20)15-10-14(11-23-15)24(21,22)19-8-2-1-3-9-19/h4-7,10-11H,1-3,8-9H2,(H,18,20).
What are the key properties of N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 1252955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).