N-[2-[ethyl(methyl)amino]ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide

C18H21N2O2PS — CID 134920783

IUPACN-[2-[ethyl(methyl)amino]ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide
SMILESCCN(C)C#CP(=NS(C)(=O)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N2O2PS/c1-4-20(2)15-16-23(19-24(3,21)22,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4H2,1-3H3
InChIKeyWOZPQRJFSFXVBP-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.67
Rot. Bonds4

About N-[2-[ethyl(methyl)amino]ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide

N-[2-[ethyl(methyl)amino]ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide (PubChem CID 134920783) has the molecular formula C18H21N2O2PS and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide
PubChem CID134920783
Molecular FormulaC18H21N2O2PS
Molecular Weight360.42 g/mol
Exact Mass360.11
IUPAC NameN-[2-[ethyl(methyl)amino]ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide
SMILESCCN(C)C#CP(=NS(C)(=O)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N2O2PS/c1-4-20(2)15-16-23(19-24(3,21)22,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4H2,1-3H3
InChIKeyWOZPQRJFSFXVBP-UHFFFAOYSA-N
XLogP2.67
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide (CID 134920783) is N-[2-[ethyl(methyl)amino]ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide is CCN(C)C#CP(=NS(C)(=O)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[ethyl(methyl)amino]ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide?
The InChIKey is WOZPQRJFSFXVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N2O2PS/c1-4-20(2)15-16-23(19-24(3,21)22,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4H2,1-3H3.
What are the key properties of N-[2-[ethyl(methyl)amino]ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide?
N-[2-[ethyl(methyl)amino]ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide has a molecular weight of 360.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide is sourced from PubChem (CID 134920783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).