(2S)-N-[(1R,2S)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)cyclohexyl]pyrrolidine-2-carboxamide

C24H28F3N3O3S — CID 11214112

IUPAC(2S)-N-[(1R,2S)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)cyclohexyl]pyrrolidine-2-carboxamide
SMILESO=C(N[C@@]1(c2ccccc2)CCCC[C@]1(NS(=O)(=O)C(F)(F)F)c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C24H28F3N3O3S/c25-24(26,27)34(32,33)30-23(19-12-5-2-6-13-19)16-8-7-15-22(23,18-10-3-1-4-11-18)29-21(31)20-14-9-17-28-20/h1-6,10-13,20,28,30H,7-9,14-17H2,(H,29,31)/t20-,22+,23-/m0/s1
InChIKeyPODSYGADOMLPTD-WWNPGLIZSA-N
MW495.57 g/mol
LogP3.66
Rot. Bonds6

About (2S)-N-[(1R,2S)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)cyclohexyl]pyrrolidine-2-carboxamide

(2S)-N-[(1R,2S)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 11214112) has the molecular formula C24H28F3N3O3S and a molecular weight of 495.57 g/mol. Its IUPAC name is (2S)-N-[(1R,2S)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R,2S)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID11214112
Molecular FormulaC24H28F3N3O3S
Molecular Weight495.57 g/mol
Exact Mass495.18
IUPAC Name(2S)-N-[(1R,2S)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)cyclohexyl]pyrrolidine-2-carboxamide
SMILESO=C(N[C@@]1(c2ccccc2)CCCC[C@]1(NS(=O)(=O)C(F)(F)F)c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C24H28F3N3O3S/c25-24(26,27)34(32,33)30-23(19-12-5-2-6-13-19)16-8-7-15-22(23,18-10-3-1-4-11-18)29-21(31)20-14-9-17-28-20/h1-6,10-13,20,28,30H,7-9,14-17H2,(H,29,31)/t20-,22+,23-/m0/s1
InChIKeyPODSYGADOMLPTD-WWNPGLIZSA-N
XLogP3.66
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.57
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-phenylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 110481276
N-[1-(4-fluorophenyl)cyclobutyl]pyrrolidine-2-carboxamide
CID 110461393
N-[1-(3-fluorophenyl)cyclopropyl]piperidine-2-carboxamide
CID 110482396
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
N-[(2,2-difluoro-1-phenylcyclopropyl)methyl]piperidine-2-carboxamide
CID 167779116
phenyl-[(2S)-pyrrolidin-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 21080202
(2R)-N-(2,3-dihydro-1H-inden-2-yl)pyrrolidine-2-carboxamide
CID 114007941
(2S)-N-benzhydrylpyrrolidine-2-carboxamide
CID 10663256
(2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide
CID 101392822
N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 146156641
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 18072094
2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 103870867

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,2S)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1R,2S)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)cyclohexyl]pyrrolidine-2-carboxamide (CID 11214112) is (2S)-N-[(1R,2S)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R,2S)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R,2S)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)cyclohexyl]pyrrolidine-2-carboxamide is O=C(N[C@@]1(c2ccccc2)CCCC[C@]1(NS(=O)(=O)C(F)(F)F)c1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[(1R,2S)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is PODSYGADOMLPTD-WWNPGLIZSA-N. The full InChI is InChI=1S/C24H28F3N3O3S/c25-24(26,27)34(32,33)30-23(19-12-5-2-6-13-19)16-8-7-15-22(23,18-10-3-1-4-11-18)29-21(31)20-14-9-17-28-20/h1-6,10-13,20,28,30H,7-9,14-17H2,(H,29,31)/t20-,22+,23-/m0/s1.
What are the key properties of (2S)-N-[(1R,2S)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)cyclohexyl]pyrrolidine-2-carboxamide?
(2S)-N-[(1R,2S)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 495.57 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,2S)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11214112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).