2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide

C20H22F3N5O4S — CID 90321896

IUPAC2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
SMILESCC(C)[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H22F3N5O4S/c1-12(2)16-10-27(14-6-7-17(25-9-14)20(21,22)23)19(30)28(16)11-18(29)26-13-4-3-5-15(8-13)33(24,31)32/h3-9,12,16H,10-11H2,1-2H3,(H,26,29)(H2,24,31,32)/t16-/m1/s1
InChIKeyCOECGOYQTPMQTB-MRXNPFEDSA-N
MW485.49 g/mol
LogP2.65
Rot. Bonds6

About 2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide

2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 90321896) has the molecular formula C20H22F3N5O4S and a molecular weight of 485.49 g/mol. Its IUPAC name is 2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
PubChem CID90321896
Molecular FormulaC20H22F3N5O4S
Molecular Weight485.49 g/mol
Exact Mass485.13
IUPAC Name2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
SMILESCC(C)[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H22F3N5O4S/c1-12(2)16-10-27(14-6-7-17(25-9-14)20(21,22)23)19(30)28(16)11-18(29)26-13-4-3-5-15(8-13)33(24,31)32/h3-9,12,16H,10-11H2,1-2H3,(H,26,29)(H2,24,31,32)/t16-/m1/s1
InChIKeyCOECGOYQTPMQTB-MRXNPFEDSA-N
XLogP2.65
TPSA125.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5S)-3-(6-cyano-3-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 86705190
2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90321970
3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
CID 159192742
2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 90321883
N-(6-chloro-5-methyl-3-pyridinyl)-2-[(5S)-5-(2-methylpropyl)-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide
CID 90321953
N-(4-chloro-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]acetamide
CID 90321966
6-[2-oxo-3-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]propyl]pyridine-3-carbonitrile
CID 159019886
2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 90321893
2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(4-chloro-2-pyridinyl)acetamide
CID 90321897
5-[(4S)-2-oxo-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-propan-2-ylimidazolidin-1-yl]pyridine-2-carbonitrile
CID 157083720
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide
CID 7810409
2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500983

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide (CID 90321896) is 2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide is CC(C)[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1CC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is COECGOYQTPMQTB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22F3N5O4S/c1-12(2)16-10-27(14-6-7-17(25-9-14)20(21,22)23)19(30)28(16)11-18(29)26-13-4-3-5-15(8-13)33(24,31)32/h3-9,12,16H,10-11H2,1-2H3,(H,26,29)(H2,24,31,32)/t16-/m1/s1.
What are the key properties of 2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 485.49 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 90321896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).