N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]butane-1-sulfonamide

C22H23F2N3O5S — CID 155511153

IUPACN-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(C2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)cc1
InChIInChI=1S/C22H23F2N3O5S/c1-3-4-11-33(31,32)26-16-8-5-14(6-9-16)22(2)20(29)27(21(30)25-22)13-19(28)17-10-7-15(23)12-18(17)24/h5-10,12,26H,3-4,11,13H2,1-2H3,(H,25,30)
InChIKeyPYUHXZUDKSZTRH-UHFFFAOYSA-N
MW479.51 g/mol
LogP3.16
Rot. Bonds9

About N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]butane-1-sulfonamide

N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]butane-1-sulfonamide (PubChem CID 155511153) has the molecular formula C22H23F2N3O5S and a molecular weight of 479.51 g/mol. Its IUPAC name is N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]butane-1-sulfonamide
PubChem CID155511153
Molecular FormulaC22H23F2N3O5S
Molecular Weight479.51 g/mol
Exact Mass479.13
IUPAC NameN-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(C2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)cc1
InChIInChI=1S/C22H23F2N3O5S/c1-3-4-11-33(31,32)26-16-8-5-14(6-9-16)22(2)20(29)27(21(30)25-22)13-19(28)17-10-7-15(23)12-18(17)24/h5-10,12,26H,3-4,11,13H2,1-2H3,(H,25,30)
InChIKeyPYUHXZUDKSZTRH-UHFFFAOYSA-N
XLogP3.16
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]butane-1-sulfonamide?
The IUPAC name of N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]butane-1-sulfonamide (CID 155511153) is N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(C2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)cc1.
What is the InChIKey of N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]butane-1-sulfonamide?
The InChIKey is PYUHXZUDKSZTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O5S/c1-3-4-11-33(31,32)26-16-8-5-14(6-9-16)22(2)20(29)27(21(30)25-22)13-19(28)17-10-7-15(23)12-18(17)24/h5-10,12,26H,3-4,11,13H2,1-2H3,(H,25,30).
What are the key properties of N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]butane-1-sulfonamide?
N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]butane-1-sulfonamide has a molecular weight of 479.51 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]butane-1-sulfonamide is sourced from PubChem (CID 155511153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).