2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[2-(2-sulfamoylethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide

C23H30F3N3O3S — CID 139481646

IUPAC2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[2-(2-sulfamoylethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide
SMILESCC/C(=C\c1ccccc1)[C@@H]1C[C@H]1N(C(=O)C(F)(F)F)C1CC2(C1)CN(CCS(N)(=O)=O)C2
InChIInChI=1S/C23H30F3N3O3S/c1-2-17(10-16-6-4-3-5-7-16)19-11-20(19)29(21(30)23(24,25)26)18-12-22(13-18)14-28(15-22)8-9-33(27,31)32/h3-7,10,18-20H,2,8-9,11-15H2,1H3,(H2,27,31,32)/b17-10+/t19-,20+/m0/s1
InChIKeyZPZBRGQTLNNERR-ZVIVXHKUSA-N
MW485.57 g/mol
LogP3.01
Rot. Bonds8

About 2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[2-(2-sulfamoylethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide

2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[2-(2-sulfamoylethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide (PubChem CID 139481646) has the molecular formula C23H30F3N3O3S and a molecular weight of 485.57 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[2-(2-sulfamoylethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[2-(2-sulfamoylethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide
PubChem CID139481646
Molecular FormulaC23H30F3N3O3S
Molecular Weight485.57 g/mol
Exact Mass485.20
IUPAC Name2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[2-(2-sulfamoylethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide
SMILESCC/C(=C\c1ccccc1)[C@@H]1C[C@H]1N(C(=O)C(F)(F)F)C1CC2(C1)CN(CCS(N)(=O)=O)C2
InChIInChI=1S/C23H30F3N3O3S/c1-2-17(10-16-6-4-3-5-7-16)19-11-20(19)29(21(30)23(24,25)26)18-12-22(13-18)14-28(15-22)8-9-33(27,31)32/h3-7,10,18-20H,2,8-9,11-15H2,1H3,(H2,27,31,32)/b17-10+/t19-,20+/m0/s1
InChIKeyZPZBRGQTLNNERR-ZVIVXHKUSA-N
XLogP3.01
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[2-(2-sulfamoylethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide with MolForge

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Related Compounds

2-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]ethanesulfonamide
CID 139465143
N-[(S)-1-methyl-3-phenylpropyl]-1-(cyclopropylsulfonyl)-3-azetidinecarboxamide
CID 95377141
N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
CID 122641133
N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
CID 122641135
N-[2-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
CID 122648952
2,2,2-trifluoro-N-[2-(2-methylsulfonylethyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
CID 122648965
2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[1-(2-sulfamoylethyl)piperidin-4-yl]acetamide
CID 134469141
2,2,2-trifluoro-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
CID 138711793
2-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]ethanesulfonamide;bis(2,2,2-trifluoroacetic acid)
CID 139465164
2,2,2-trifluoro-N-[(1R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[1-(2-sulfamoylethyl)piperidin-4-yl]acetamide
CID 139481649
N-[2-(2-aminosulfanylethyl)-2-azaspiro[3.3]heptan-6-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene
CID 142338714
N-(2-azaspiro[3.3]heptan-6-yl)-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene
CID 145176259

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[2-(2-sulfamoylethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[2-(2-sulfamoylethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide (CID 139481646) is 2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[2-(2-sulfamoylethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[2-(2-sulfamoylethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[2-(2-sulfamoylethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide is CC/C(=C\c1ccccc1)[C@@H]1C[C@H]1N(C(=O)C(F)(F)F)C1CC2(C1)CN(CCS(N)(=O)=O)C2.
What is the InChIKey of 2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[2-(2-sulfamoylethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide?
The InChIKey is ZPZBRGQTLNNERR-ZVIVXHKUSA-N. The full InChI is InChI=1S/C23H30F3N3O3S/c1-2-17(10-16-6-4-3-5-7-16)19-11-20(19)29(21(30)23(24,25)26)18-12-22(13-18)14-28(15-22)8-9-33(27,31)32/h3-7,10,18-20H,2,8-9,11-15H2,1H3,(H2,27,31,32)/b17-10+/t19-,20+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[2-(2-sulfamoylethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide?
2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[2-(2-sulfamoylethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide has a molecular weight of 485.57 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-N-[2-(2-sulfamoylethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide is sourced from PubChem (CID 139481646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).