N-[cyclohexyl-[4-[ethoxy(methyl)phosphoryl]phenyl]methyl]-2-methylpropane-2-sulfinamide

C20H34NO3PS — CID 123860966

IUPACN-[cyclohexyl-[4-[ethoxy(methyl)phosphoryl]phenyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCCOP(C)(=O)c1ccc(C(NS(=O)C(C)(C)C)C2CCCCC2)cc1
InChIInChI=1S/C20H34NO3PS/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/h12-16,19,21H,6-11H2,1-5H3
InChIKeyIVCFFHBRUMWKHD-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.93
Rot. Bonds7

About N-[cyclohexyl-[4-[ethoxy(methyl)phosphoryl]phenyl]methyl]-2-methylpropane-2-sulfinamide

N-[cyclohexyl-[4-[ethoxy(methyl)phosphoryl]phenyl]methyl]-2-methylpropane-2-sulfinamide (PubChem CID 123860966) has the molecular formula C20H34NO3PS and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[cyclohexyl-[4-[ethoxy(methyl)phosphoryl]phenyl]methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[cyclohexyl-[4-[ethoxy(methyl)phosphoryl]phenyl]methyl]-2-methylpropane-2-sulfinamide
PubChem CID123860966
Molecular FormulaC20H34NO3PS
Molecular Weight399.54 g/mol
Exact Mass399.20
IUPAC NameN-[cyclohexyl-[4-[ethoxy(methyl)phosphoryl]phenyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCCOP(C)(=O)c1ccc(C(NS(=O)C(C)(C)C)C2CCCCC2)cc1
InChIInChI=1S/C20H34NO3PS/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/h12-16,19,21H,6-11H2,1-5H3
InChIKeyIVCFFHBRUMWKHD-UHFFFAOYSA-N
XLogP4.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.93
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 N-[cyclohexyl-[4-[ethoxy(methyl)phosphoryl]phenyl]methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[cyclohexyl-[4-[ethoxy(methyl)phosphoryl]phenyl]methyl]-2-methylpropane-2-sulfinamide (CID 123860966) is N-[cyclohexyl-[4-[ethoxy(methyl)phosphoryl]phenyl]methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[cyclohexyl-[4-[ethoxy(methyl)phosphoryl]phenyl]methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[cyclohexyl-[4-[ethoxy(methyl)phosphoryl]phenyl]methyl]-2-methylpropane-2-sulfinamide is CCOP(C)(=O)c1ccc(C(NS(=O)C(C)(C)C)C2CCCCC2)cc1.
What is the InChIKey of N-[cyclohexyl-[4-[ethoxy(methyl)phosphoryl]phenyl]methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is IVCFFHBRUMWKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34NO3PS/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/h12-16,19,21H,6-11H2,1-5H3.
What are the key properties of N-[cyclohexyl-[4-[ethoxy(methyl)phosphoryl]phenyl]methyl]-2-methylpropane-2-sulfinamide?
N-[cyclohexyl-[4-[ethoxy(methyl)phosphoryl]phenyl]methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 399.54 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-[4-[ethoxy(methyl)phosphoryl]phenyl]methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 123860966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).