4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide

C19H16N4O5S — CID 155535854

IUPAC4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
SMILESCC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2cccc(C#N)c2)C1=O
InChIInChI=1S/C19H16N4O5S/c1-19(14-5-7-15(8-6-14)29(21,27)28)17(25)23(18(26)22-19)11-16(24)13-4-2-3-12(9-13)10-20/h2-9H,11H2,1H3,(H,22,26)(H2,21,27,28)
InChIKeyDFLDBHSCXLGRAP-UHFFFAOYSA-N
MW412.43 g/mol
LogP0.86
Rot. Bonds5

About 4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide

4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide (PubChem CID 155535854) has the molecular formula C19H16N4O5S and a molecular weight of 412.43 g/mol. Its IUPAC name is 4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
PubChem CID155535854
Molecular FormulaC19H16N4O5S
Molecular Weight412.43 g/mol
Exact Mass412.08
IUPAC Name4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
SMILESCC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2cccc(C#N)c2)C1=O
InChIInChI=1S/C19H16N4O5S/c1-19(14-5-7-15(8-6-14)29(21,27)28)17(25)23(18(26)22-19)11-16(24)13-4-2-3-12(9-13)10-20/h2-9H,11H2,1H3,(H,22,26)(H2,21,27,28)
InChIKeyDFLDBHSCXLGRAP-UHFFFAOYSA-N
XLogP0.86
TPSA150.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
CID 155532792
4-[(4S)-4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl]benzonitrile
CID 93253019
4-[4-methyl-2,5-dioxo-1-(2-oxo-2-pyridin-4-ylethyl)imidazolidin-4-yl]benzonitrile
CID 155555500
4-[(4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 25479689
4-[1-(2-cyclopropyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
CID 155527664
3-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 47092888
5-(4-fluorophenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 17477743
4-[2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-3-ylimidazolidin-1-yl]acetyl]benzonitrile
CID 129398781
(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242493
3-[(4S)-1-(2-bromoprop-2-enyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 95339475
4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 47056816
2-[(4S)-4-(3-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 95273589

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide (CID 155535854) is 4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide is CC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2cccc(C#N)c2)C1=O.
What is the InChIKey of 4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The InChIKey is DFLDBHSCXLGRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5S/c1-19(14-5-7-15(8-6-14)29(21,27)28)17(25)23(18(26)22-19)11-16(24)13-4-2-3-12(9-13)10-20/h2-9H,11H2,1H3,(H,22,26)(H2,21,27,28).
What are the key properties of 4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide has a molecular weight of 412.43 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 155535854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).