4-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide

C23H22N4O4S — CID 142664067

IUPAC4-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide
SMILESCc1cc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)ccc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C23H22N4O4S/c1-15-13-19(11-12-20(15)25-22(28)17-7-9-18(24)10-8-17)32(30,31)27-14-21(26-23(27)29)16-5-3-2-4-6-16/h2-13,21H,14,24H2,1H3,(H,25,28)(H,26,29)/t21-/m1/s1
InChIKeyJORUWUVZNMLSIR-OAQYLSRUSA-N
MW450.52 g/mol
LogP3.28
Rot. Bonds5

About 4-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide

4-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide (PubChem CID 142664067) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide
PubChem CID142664067
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC Name4-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide
SMILESCc1cc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)ccc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C23H22N4O4S/c1-15-13-19(11-12-20(15)25-22(28)17-7-9-18(24)10-8-17)32(30,31)27-14-21(26-23(27)29)16-5-3-2-4-6-16/h2-13,21H,14,24H2,1H3,(H,25,28)(H,26,29)/t21-/m1/s1
InChIKeyJORUWUVZNMLSIR-OAQYLSRUSA-N
XLogP3.28
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide?
The IUPAC name of 4-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide (CID 142664067) is 4-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide?
The canonical SMILES for 4-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide is Cc1cc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)ccc1NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide?
The InChIKey is JORUWUVZNMLSIR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-15-13-19(11-12-20(15)25-22(28)17-7-9-18(24)10-8-17)32(30,31)27-14-21(26-23(27)29)16-5-3-2-4-6-16/h2-13,21H,14,24H2,1H3,(H,25,28)(H,26,29)/t21-/m1/s1.
What are the key properties of 4-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide?
4-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide has a molecular weight of 450.52 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide is sourced from PubChem (CID 142664067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).