N-[2-(N-ethylanilino)ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide

C23H23N2O2PS — CID 134920812

IUPACN-[2-(N-ethylanilino)ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide
SMILESCCN(C#CP(=NS(C)(=O)=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N2O2PS/c1-3-25(21-13-7-4-8-14-21)19-20-28(24-29(2,26)27,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18H,3H2,1-2H3
InChIKeyDMCAFDHNVINJRV-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.24
Rot. Bonds5

About N-[2-(N-ethylanilino)ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide

N-[2-(N-ethylanilino)ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide (PubChem CID 134920812) has the molecular formula C23H23N2O2PS and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[2-(N-ethylanilino)ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(N-ethylanilino)ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide
PubChem CID134920812
Molecular FormulaC23H23N2O2PS
Molecular Weight422.49 g/mol
Exact Mass422.12
IUPAC NameN-[2-(N-ethylanilino)ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide
SMILESCCN(C#CP(=NS(C)(=O)=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N2O2PS/c1-3-25(21-13-7-4-8-14-21)19-20-28(24-29(2,26)27,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18H,3H2,1-2H3
InChIKeyDMCAFDHNVINJRV-UHFFFAOYSA-N
XLogP4.24
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.24
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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Related Compounds

N-[2-[ethyl(methyl)amino]ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide
CID 134920783
N-(2-diphenylphosphorylethynyl)-N-ethylaniline
CID 134876115
N'-ethyl-N'-phenylethyne-1,2-diamine
CID 23517729
4-methyl-N-[2-[(4-methylphenyl)sulfonylimino-diphenyl-λ5-phosphanyl]ethynyl-diphenyl-λ5-phosphanylidene]benzenesulfonamide
CID 134875992
bis(N,N-diethylaniline);sulfuric acid;hydrate
CID 174461445
lithium N-(diphenylphosphorylmethyl)-N-methylaniline
CID 134881538
N,N-diethylaniline
CID 7061
N-[4-(N-phenylanilino)phenyl]methanesulfonamide
CID 20654643
N-benzyl-N-phenylmethanesulfonamide;ethane
CID 142134956
N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide
CID 20654617
1-cyano-N-methyl-N-phenylmethanesulfonamide
CID 60711469
N,N'-bis(diphenylphosphoryl)-N,N'-di(propan-2-yl)ethane-1,2-diamine
CID 24891588

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethylanilino)ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide?
The IUPAC name of N-[2-(N-ethylanilino)ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide (CID 134920812) is N-[2-(N-ethylanilino)ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide.
What is the SMILES notation for N-[2-(N-ethylanilino)ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide?
The canonical SMILES for N-[2-(N-ethylanilino)ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide is CCN(C#CP(=NS(C)(=O)=O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(N-ethylanilino)ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide?
The InChIKey is DMCAFDHNVINJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N2O2PS/c1-3-25(21-13-7-4-8-14-21)19-20-28(24-29(2,26)27,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18H,3H2,1-2H3.
What are the key properties of N-[2-(N-ethylanilino)ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide?
N-[2-(N-ethylanilino)ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide has a molecular weight of 422.49 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethylanilino)ethynyl-diphenyl-λ5-phosphanylidene]methanesulfonamide is sourced from PubChem (CID 134920812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).