2,2,2-trifluoro-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]acetamide

C18H16F3N3O4S — CID 142664068

IUPAC2,2,2-trifluoro-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]acetamide
SMILESCc1cc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)ccc1NC(=O)C(F)(F)F
InChIInChI=1S/C18H16F3N3O4S/c1-11-9-13(7-8-14(11)22-16(25)18(19,20)21)29(27,28)24-10-15(23-17(24)26)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,22,25)(H,23,26)/t15-/m1/s1
InChIKeyAFDFAKHKPKBWDP-OAHLLOKOSA-N
MW427.40 g/mol
LogP2.95
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]acetamide

2,2,2-trifluoro-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 142664068) has the molecular formula C18H16F3N3O4S and a molecular weight of 427.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]acetamide
PubChem CID142664068
Molecular FormulaC18H16F3N3O4S
Molecular Weight427.40 g/mol
Exact Mass427.08
IUPAC Name2,2,2-trifluoro-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]acetamide
SMILESCc1cc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)ccc1NC(=O)C(F)(F)F
InChIInChI=1S/C18H16F3N3O4S/c1-11-9-13(7-8-14(11)22-16(25)18(19,20)21)29(27,28)24-10-15(23-17(24)26)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,22,25)(H,23,26)/t15-/m1/s1
InChIKeyAFDFAKHKPKBWDP-OAHLLOKOSA-N
XLogP2.95
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]acetamide (CID 142664068) is 2,2,2-trifluoro-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]acetamide is Cc1cc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)ccc1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is AFDFAKHKPKBWDP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16F3N3O4S/c1-11-9-13(7-8-14(11)22-16(25)18(19,20)21)29(27,28)24-10-15(23-17(24)26)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,22,25)(H,23,26)/t15-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]acetamide?
2,2,2-trifluoro-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 427.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 142664068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).