3-[(4-fluorophenyl)-methylsulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

C24H20FN3O3S2 — CID 50928089

IUPAC3-[(4-fluorophenyl)-methylsulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1c(-c2ccccc2)csc1C(=O)NCc1cccnc1
InChIInChI=1S/C24H20FN3O3S2/c1-28(20-11-9-19(25)10-12-20)33(30,31)23-21(18-7-3-2-4-8-18)16-32-22(23)24(29)27-15-17-6-5-13-26-14-17/h2-14,16H,15H2,1H3,(H,27,29)
InChIKeyYMMOKQBGZSVKIA-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.70
Rot. Bonds7

About 3-[(4-fluorophenyl)-methylsulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

3-[(4-fluorophenyl)-methylsulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 50928089) has the molecular formula C24H20FN3O3S2 and a molecular weight of 481.57 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)-methylsulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)-methylsulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
PubChem CID50928089
Molecular FormulaC24H20FN3O3S2
Molecular Weight481.57 g/mol
Exact Mass481.09
IUPAC Name3-[(4-fluorophenyl)-methylsulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1c(-c2ccccc2)csc1C(=O)NCc1cccnc1
InChIInChI=1S/C24H20FN3O3S2/c1-28(20-11-9-19(25)10-12-20)33(30,31)23-21(18-7-3-2-4-8-18)16-32-22(23)24(29)27-15-17-6-5-13-26-14-17/h2-14,16H,15H2,1H3,(H,27,29)
InChIKeyYMMOKQBGZSVKIA-UHFFFAOYSA-N
XLogP4.70
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)-methylsulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)-methylsulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (CID 50928089) is 3-[(4-fluorophenyl)-methylsulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)-methylsulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)-methylsulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is CN(c1ccc(F)cc1)S(=O)(=O)c1c(-c2ccccc2)csc1C(=O)NCc1cccnc1.
What is the InChIKey of 3-[(4-fluorophenyl)-methylsulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is YMMOKQBGZSVKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S2/c1-28(20-11-9-19(25)10-12-20)33(30,31)23-21(18-7-3-2-4-8-18)16-32-22(23)24(29)27-15-17-6-5-13-26-14-17/h2-14,16H,15H2,1H3,(H,27,29).
What are the key properties of 3-[(4-fluorophenyl)-methylsulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
3-[(4-fluorophenyl)-methylsulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 481.57 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)-methylsulfamoyl]-4-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 50928089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).