N-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide

C21H26N2O4S — CID 95300634

IUPACN-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H26N2O4S/c1-2-15-28(25,26)22-18-13-14-23(16-18)21(24)20(17-9-5-3-6-10-17)27-19-11-7-4-8-12-19/h3-12,18,20,22H,2,13-16H2,1H3/t18-,20-/m1/s1
InChIKeyIQAUCOGDVWVFQF-UYAOXDASSA-N
MW402.52 g/mol
LogP2.74
Rot. Bonds8

About N-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide

N-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide (PubChem CID 95300634) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide
PubChem CID95300634
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H26N2O4S/c1-2-15-28(25,26)22-18-13-14-23(16-18)21(24)20(17-9-5-3-6-10-17)27-19-11-7-4-8-12-19/h3-12,18,20,22H,2,13-16H2,1H3/t18-,20-/m1/s1
InChIKeyIQAUCOGDVWVFQF-UYAOXDASSA-N
XLogP2.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidine-3-carboxamide
CID 95580293
1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone
CID 119560633
N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 51108800
N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 154750307
2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone
CID 138992541
N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide
CID 94872067
1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone
CID 119578300
N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655152
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide
CID 108565183
2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 51210306
4-(1-phenylbutylamino)piperidine-1-carboxamide
CID 43785944
N-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119329196

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide (CID 95300634) is N-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide?
The InChIKey is IQAUCOGDVWVFQF-UYAOXDASSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-2-15-28(25,26)22-18-13-14-23(16-18)21(24)20(17-9-5-3-6-10-17)27-19-11-7-4-8-12-19/h3-12,18,20,22H,2,13-16H2,1H3/t18-,20-/m1/s1.
What are the key properties of N-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide?
N-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide has a molecular weight of 402.52 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 95300634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).