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

C16H17FN2O3S2 — CID 1310286

IUPACN-(2-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C16H17FN2O3S2/c17-13-6-2-3-7-14(13)18-16(20)15-10-12(11-23-15)24(21,22)19-8-4-1-5-9-19/h2-3,6-7,10-11H,1,4-5,8-9H2,(H,18,20)
InChIKeyLLJYNXRHQAAJPN-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.31
Rot. Bonds4

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

N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 1310286) has the molecular formula C16H17FN2O3S2 and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID1310286
Molecular FormulaC16H17FN2O3S2
Molecular Weight368.46 g/mol
Exact Mass368.07
IUPAC NameN-(2-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C16H17FN2O3S2/c17-13-6-2-3-7-14(13)18-16(20)15-10-12(11-23-15)24(21,22)19-8-4-1-5-9-19/h2-3,6-7,10-11H,1,4-5,8-9H2,(H,18,20)
InChIKeyLLJYNXRHQAAJPN-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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Related Compounds

N-(2,4-Difluorophenyl)-2-thiophenecarboxamide
CID 762625
N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
CID 670143
N-(4-Fluorophenyl)-2-thiophenecarboxamide
CID 531923
N-(3-fluoro-4-morpholinophenyl)-2-thiophenecarboxamide
CID 1485336
N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 687455
N-(2-Fluoro-4-Sulfamoylphenyl)-2-(Thiophen-2-Yl)acetamide
CID 44520897
4-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzenesulfonamide
CID 2258220
3-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzenesulfonamide
CID 168286735
5-methyl-N-[4-(methylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 1247495
N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2188561
3-amino-N-(4-fluorophenyl)-4-(isopropylsulfonyl)-2-thiophenecarboxamide
CID 2815721
N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide
CID 4845797

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 1310286) is N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is O=C(Nc1ccccc1F)c1cc(S(=O)(=O)N2CCCCC2)cs1.
What is the InChIKey of N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is LLJYNXRHQAAJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S2/c17-13-6-2-3-7-14(13)18-16(20)15-10-12(11-23-15)24(21,22)19-8-4-1-5-9-19/h2-3,6-7,10-11H,1,4-5,8-9H2,(H,18,20).
What are the key properties of N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-(2-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-(2-fluorophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 1310286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).