N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide

C35H36NO3PS — CID 155885270

IUPACN-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
SMILESCOc1cc([C@@H](NS(=O)C(C)(C)C)c2cccc3ccccc23)c(P(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C35H36NO3PS/c1-35(2,3)41(37)36-34(29-22-14-16-25-15-12-13-21-28(25)29)30-23-31(38-4)32(39-5)24-33(30)40(26-17-8-6-9-18-26)27-19-10-7-11-20-27/h6-24,34,36H,1-5H3/t34-,41?/m0/s1
InChIKeyGDVFMOUEWXCVPL-YUBUVMJQSA-N
MW581.72 g/mol
LogP6.76
Rot. Bonds9

About N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide

N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide (PubChem CID 155885270) has the molecular formula C35H36NO3PS and a molecular weight of 581.72 g/mol. Its IUPAC name is N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
PubChem CID155885270
Molecular FormulaC35H36NO3PS
Molecular Weight581.72 g/mol
Exact Mass581.22
IUPAC NameN-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
SMILESCOc1cc([C@@H](NS(=O)C(C)(C)C)c2cccc3ccccc23)c(P(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C35H36NO3PS/c1-35(2,3)41(37)36-34(29-22-14-16-25-15-12-13-21-28(25)29)30-23-31(38-4)32(39-5)24-33(30)40(26-17-8-6-9-18-26)27-19-10-7-11-20-27/h6-24,34,36H,1-5H3/t34-,41?/m0/s1
InChIKeyGDVFMOUEWXCVPL-YUBUVMJQSA-N
XLogP6.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.72
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-[(S)-(3,5-ditert-butyl-4-methoxyphenyl)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 164887393
(S)-N-[(R)-(2-diphenylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 166597619
(R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
CID 164887402
N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 154703010
(R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
CID 169448786
N-[(1R)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 154728529
(S)-N-[(3,5-ditert-butyl-4-methoxyphenyl)-(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)methyl]-2-methylpropane-2-sulfinamide
CID 172640818
N-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 155885272
(R)-N-[(S)-(2-diphenylphosphanylphenyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide
CID 156620841
(S)-N-[(R)-[1-(benzenesulfonyl)indol-2-yl]-(2-methoxy-5-methylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 153404484
N-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 162393889
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide
CID 102250228

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide (CID 155885270) is N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide is COc1cc([C@@H](NS(=O)C(C)(C)C)c2cccc3ccccc23)c(P(c2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is GDVFMOUEWXCVPL-YUBUVMJQSA-N. The full InChI is InChI=1S/C35H36NO3PS/c1-35(2,3)41(37)36-34(29-22-14-16-25-15-12-13-21-28(25)29)30-23-31(38-4)32(39-5)24-33(30)40(26-17-8-6-9-18-26)27-19-10-7-11-20-27/h6-24,34,36H,1-5H3/t34-,41?/m0/s1.
What are the key properties of N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide?
N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 581.72 g/mol, XLogP of 6.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 155885270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).