N-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide

C26H40NO2PS — CID 162393889

IUPACN-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc([C@@H](NS(=O)C(C)(C)C)c2ccccc2P(C(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C26H40NO2PS/c1-24(2,3)30(25(4,5)6)22-14-12-11-13-21(22)23(27-31(28)26(7,8)9)19-15-17-20(29-10)18-16-19/h11-18,23,27H,1-10H3/t23-,31?/m1/s1
InChIKeyUGRJOEZRWKQFBQ-WNEYBHKTSA-N
MW461.65 g/mol
LogP6.54
Rot. Bonds6

About N-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide

N-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide (PubChem CID 162393889) has the molecular formula C26H40NO2PS and a molecular weight of 461.65 g/mol. Its IUPAC name is N-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
PubChem CID162393889
Molecular FormulaC26H40NO2PS
Molecular Weight461.65 g/mol
Exact Mass461.25
IUPAC NameN-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc([C@@H](NS(=O)C(C)(C)C)c2ccccc2P(C(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C26H40NO2PS/c1-24(2,3)30(25(4,5)6)22-14-12-11-13-21(22)23(27-31(28)26(7,8)9)19-15-17-20(29-10)18-16-19/h11-18,23,27H,1-10H3/t23-,31?/m1/s1
InChIKeyUGRJOEZRWKQFBQ-WNEYBHKTSA-N
XLogP6.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-N-[(R)-(2-diphenylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 166597619
(R)-N-[(S)-(3,5-ditert-butyl-4-methoxyphenyl)-(2-ditert-butylphosphanylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 155293982
(S)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 166597654
(R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 178184331
(R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
CID 164887402
N-[(S)-(2-ditert-butylphosphanylphenyl)-(2-methylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 162393879
N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 154703010
(S)-N-[(1S,2S)-1-(4-methoxyphenyl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134941098
(R)-N-[(S)-1-adamantyl-(2-ditert-butylphosphanylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 162420735
(R)-N-[(S)-(2-diphenylphosphanylphenyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide
CID 156620841
(R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 46845201
N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 89462500

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide (CID 162393889) is N-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide is COc1ccc([C@@H](NS(=O)C(C)(C)C)c2ccccc2P(C(C)(C)C)C(C)(C)C)cc1.
What is the InChIKey of N-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is UGRJOEZRWKQFBQ-WNEYBHKTSA-N. The full InChI is InChI=1S/C26H40NO2PS/c1-24(2,3)30(25(4,5)6)22-14-12-11-13-21(22)23(27-31(28)26(7,8)9)19-15-17-20(29-10)18-16-19/h11-18,23,27H,1-10H3/t23-,31?/m1/s1.
What are the key properties of N-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide?
N-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 461.65 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 162393889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).