(R)-N-[(S)-[4-[ethoxy(methyl)phosphoryl]phenyl]-phenylmethyl]-2-methylpropane-2-sulfinamide

C20H28NO3PS — CID 89472210

IUPAC(R)-N-[(S)-[4-[ethoxy(methyl)phosphoryl]phenyl]-phenylmethyl]-2-methylpropane-2-sulfinamide
SMILESCCOP(C)(=O)c1ccc([C@@H](N[S@](=O)C(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H28NO3PS/c1-6-24-25(5,22)18-14-12-17(13-15-18)19(16-10-8-7-9-11-16)21-26(23)20(2,3)4/h7-15,19,21H,6H2,1-5H3/t19-,25?,26+/m0/s1
InChIKeyKRJYIWQSKVVKMQ-YSOXYRSOSA-N
MW393.49 g/mol
LogP4.40
Rot. Bonds7

About (R)-N-[(S)-[4-[ethoxy(methyl)phosphoryl]phenyl]-phenylmethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(S)-[4-[ethoxy(methyl)phosphoryl]phenyl]-phenylmethyl]-2-methylpropane-2-sulfinamide (PubChem CID 89472210) has the molecular formula C20H28NO3PS and a molecular weight of 393.49 g/mol. Its IUPAC name is (R)-N-[(S)-[4-[ethoxy(methyl)phosphoryl]phenyl]-phenylmethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(S)-[4-[ethoxy(methyl)phosphoryl]phenyl]-phenylmethyl]-2-methylpropane-2-sulfinamide
PubChem CID89472210
Molecular FormulaC20H28NO3PS
Molecular Weight393.49 g/mol
Exact Mass393.15
IUPAC Name(R)-N-[(S)-[4-[ethoxy(methyl)phosphoryl]phenyl]-phenylmethyl]-2-methylpropane-2-sulfinamide
SMILESCCOP(C)(=O)c1ccc([C@@H](N[S@](=O)C(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H28NO3PS/c1-6-24-25(5,22)18-14-12-17(13-15-18)19(16-10-8-7-9-11-16)21-26(23)20(2,3)4/h7-15,19,21H,6H2,1-5H3/t19-,25?,26+/m0/s1
InChIKeyKRJYIWQSKVVKMQ-YSOXYRSOSA-N
XLogP4.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(S)-[4-[ethoxy(methyl)phosphoryl]phenyl]-phenylmethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(S)-[4-[ethoxy(methyl)phosphoryl]phenyl]-phenylmethyl]-2-methylpropane-2-sulfinamide (CID 89472210) is (R)-N-[(S)-[4-[ethoxy(methyl)phosphoryl]phenyl]-phenylmethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(S)-[4-[ethoxy(methyl)phosphoryl]phenyl]-phenylmethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(S)-[4-[ethoxy(methyl)phosphoryl]phenyl]-phenylmethyl]-2-methylpropane-2-sulfinamide is CCOP(C)(=O)c1ccc([C@@H](N[S@](=O)C(C)(C)C)c2ccccc2)cc1.
What is the InChIKey of (R)-N-[(S)-[4-[ethoxy(methyl)phosphoryl]phenyl]-phenylmethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is KRJYIWQSKVVKMQ-YSOXYRSOSA-N. The full InChI is InChI=1S/C20H28NO3PS/c1-6-24-25(5,22)18-14-12-17(13-15-18)19(16-10-8-7-9-11-16)21-26(23)20(2,3)4/h7-15,19,21H,6H2,1-5H3/t19-,25?,26+/m0/s1.
What are the key properties of (R)-N-[(S)-[4-[ethoxy(methyl)phosphoryl]phenyl]-phenylmethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(S)-[4-[ethoxy(methyl)phosphoryl]phenyl]-phenylmethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 393.49 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(S)-[4-[ethoxy(methyl)phosphoryl]phenyl]-phenylmethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 89472210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).