N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide

C29H30NOPS — CID 154703010

IUPACN-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30NOPS/c1-29(2,3)33(31)30-28(23-15-7-4-8-16-23)26-21-13-14-22-27(26)32(24-17-9-5-10-18-24)25-19-11-6-12-20-25/h4-22,28,30H,1-3H3/t28-,33?/m1/s1
InChIKeyRTEPAEFPZJXJEI-TUDONDPESA-N
MW471.61 g/mol
LogP5.59
Rot. Bonds7

About N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide

N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide (PubChem CID 154703010) has the molecular formula C29H30NOPS and a molecular weight of 471.61 g/mol. Its IUPAC name is N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
PubChem CID154703010
Molecular FormulaC29H30NOPS
Molecular Weight471.61 g/mol
Exact Mass471.18
IUPAC NameN-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30NOPS/c1-29(2,3)33(31)30-28(23-15-7-4-8-16-23)26-21-13-14-22-27(26)32(24-17-9-5-10-18-24)25-19-11-6-12-20-25/h4-22,28,30H,1-3H3/t28-,33?/m1/s1
InChIKeyRTEPAEFPZJXJEI-TUDONDPESA-N
XLogP5.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.61
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S)-N-[(R)-(2-diphenylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 166597619
(R)-N-[(S)-(2-diphenylphosphanylphenyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide
CID 156620841
N-[(1R)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 154728529
(R)-N-[(R)-(4-tert-butylphenyl)-(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)methyl]-2-methylpropane-2-sulfinamide
CID 155293916
N-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 162393889
(R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 155293926
(R)-N-[(S)-(3,5-ditert-butyl-4-methoxyphenyl)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 164887393
N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 89462500
N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
CID 155885270
N-[(S)-(2-ditert-butylphosphanylphenyl)-(2-methylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 162393879
(S)-N-[(3,5-ditert-butyl-4-methoxyphenyl)-(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)methyl]-2-methylpropane-2-sulfinamide
CID 172640818
N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393817

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide (CID 154703010) is N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is RTEPAEFPZJXJEI-TUDONDPESA-N. The full InChI is InChI=1S/C29H30NOPS/c1-29(2,3)33(31)30-28(23-15-7-4-8-16-23)26-21-13-14-22-27(26)32(24-17-9-5-10-18-24)25-19-11-6-12-20-25/h4-22,28,30H,1-3H3/t28-,33?/m1/s1.
What are the key properties of N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 471.61 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 154703010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).