N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]methanesulfonamide

C22H24NO2PS — CID 10408506

IUPACN-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H](Cc1ccccc1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NO2PS/c1-27(24,25)23-20(17-19-11-5-2-6-12-19)18-26(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,20,23H,17-18H2,1H3/t20-/m0/s1
InChIKeyXRPIWHMZROPXNX-FQEVSTJZSA-N
MW397.48 g/mol
LogP3.28
Rot. Bonds8

About N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]methanesulfonamide

N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]methanesulfonamide (PubChem CID 10408506) has the molecular formula C22H24NO2PS and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]methanesulfonamide
PubChem CID10408506
Molecular FormulaC22H24NO2PS
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC NameN-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H](Cc1ccccc1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NO2PS/c1-27(24,25)23-20(17-19-11-5-2-6-12-19)18-26(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,20,23H,17-18H2,1H3/t20-/m0/s1
InChIKeyXRPIWHMZROPXNX-FQEVSTJZSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide
CID 114296939
N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide
CID 11725380
(2R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-2-phenylacetamide
CID 10713679
(2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid
CID 22867971
N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide
CID 65030823
N-(2-benzyl-3-methylbutyl)methanesulfonamide
CID 91651363
2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287725
(2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287274
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 110347396
chloromethyl (2S)-2-(methanesulfonamido)-3-phenylpropanoate
CID 174358903
(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol
CID 102675491
methanesulfonic acid;1-phenylpropan-2-amine
CID 173025540

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]methanesulfonamide (CID 10408506) is N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]methanesulfonamide is CS(=O)(=O)N[C@@H](Cc1ccccc1)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]methanesulfonamide?
The InChIKey is XRPIWHMZROPXNX-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24NO2PS/c1-27(24,25)23-20(17-19-11-5-2-6-12-19)18-26(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,20,23H,17-18H2,1H3/t20-/m0/s1.
What are the key properties of N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]methanesulfonamide?
N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]methanesulfonamide has a molecular weight of 397.48 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 10408506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).