N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

C21H16FN3O3S — CID 55617111

IUPACN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C21H16FN3O3S/c22-15-6-4-14(5-7-15)17-8-9-18(29-17)20(27)24-16-3-1-2-13(10-16)12-25-19(26)11-23-21(25)28/h1-10H,11-12H2,(H,23,28)(H,24,27)
InChIKeyDAXYABAVONNYIA-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.86
Rot. Bonds5

About N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 55617111) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID55617111
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC NameN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C21H16FN3O3S/c22-15-6-4-14(5-7-15)17-8-9-18(29-17)20(27)24-16-3-1-2-13(10-16)12-25-19(26)11-23-21(25)28/h1-10H,11-12H2,(H,23,28)(H,24,27)
InChIKeyDAXYABAVONNYIA-UHFFFAOYSA-N
XLogP3.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (CID 55617111) is N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is DAXYABAVONNYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c22-15-6-4-14(5-7-15)17-8-9-18(29-17)20(27)24-16-3-1-2-13(10-16)12-25-19(26)11-23-21(25)28/h1-10H,11-12H2,(H,23,28)(H,24,27).
What are the key properties of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 55617111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).