4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylsulfamoyl]thiophene-2-carboxamide

C18H22FN3O3S2 — CID 20937346

IUPAC4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylsulfamoyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3cccc(F)c3)CC2)cs1
InChIInChI=1S/C18H22FN3O3S2/c19-15-3-1-2-14(8-15)11-22-6-4-13(5-7-22)10-21-27(24,25)16-9-17(18(20)23)26-12-16/h1-3,8-9,12-13,21H,4-7,10-11H2,(H2,20,23)
InChIKeyOIJCEHLPVWWINZ-UHFFFAOYSA-N
MW411.52 g/mol
LogP2.18
Rot. Bonds7

About 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylsulfamoyl]thiophene-2-carboxamide

4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylsulfamoyl]thiophene-2-carboxamide (PubChem CID 20937346) has the molecular formula C18H22FN3O3S2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylsulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylsulfamoyl]thiophene-2-carboxamide
PubChem CID20937346
Molecular FormulaC18H22FN3O3S2
Molecular Weight411.52 g/mol
Exact Mass411.11
IUPAC Name4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylsulfamoyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3cccc(F)c3)CC2)cs1
InChIInChI=1S/C18H22FN3O3S2/c19-15-3-1-2-14(8-15)11-22-6-4-13(5-7-22)10-21-27(24,25)16-9-17(18(20)23)26-12-16/h1-3,8-9,12-13,21H,4-7,10-11H2,(H2,20,23)
InChIKeyOIJCEHLPVWWINZ-UHFFFAOYSA-N
XLogP2.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylsulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylsulfamoyl]thiophene-2-carboxamide (CID 20937346) is 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylsulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylsulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylsulfamoyl]thiophene-2-carboxamide is NC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3cccc(F)c3)CC2)cs1.
What is the InChIKey of 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylsulfamoyl]thiophene-2-carboxamide?
The InChIKey is OIJCEHLPVWWINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S2/c19-15-3-1-2-14(8-15)11-22-6-4-13(5-7-22)10-21-27(24,25)16-9-17(18(20)23)26-12-16/h1-3,8-9,12-13,21H,4-7,10-11H2,(H2,20,23).
What are the key properties of 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylsulfamoyl]thiophene-2-carboxamide?
4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylsulfamoyl]thiophene-2-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylsulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 20937346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).