N-[ethoxy(ethylsulfanyl)phosphoryl]-N-(2-methylphenyl)methanesulfonamide

C12H20NO4PS2 — CID 21323760

IUPACN-[ethoxy(ethylsulfanyl)phosphoryl]-N-(2-methylphenyl)methanesulfonamide
SMILESCCOP(=O)(SCC)N(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C12H20NO4PS2/c1-5-17-18(14,19-6-2)13(20(4,15)16)12-10-8-7-9-11(12)3/h7-10H,5-6H2,1-4H3
InChIKeyOGPMKONAMPCVNE-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.66
Rot. Bonds7

About N-[ethoxy(ethylsulfanyl)phosphoryl]-N-(2-methylphenyl)methanesulfonamide

N-[ethoxy(ethylsulfanyl)phosphoryl]-N-(2-methylphenyl)methanesulfonamide (PubChem CID 21323760) has the molecular formula C12H20NO4PS2 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[ethoxy(ethylsulfanyl)phosphoryl]-N-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[ethoxy(ethylsulfanyl)phosphoryl]-N-(2-methylphenyl)methanesulfonamide
PubChem CID21323760
Molecular FormulaC12H20NO4PS2
Molecular Weight337.40 g/mol
Exact Mass337.06
IUPAC NameN-[ethoxy(ethylsulfanyl)phosphoryl]-N-(2-methylphenyl)methanesulfonamide
SMILESCCOP(=O)(SCC)N(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C12H20NO4PS2/c1-5-17-18(14,19-6-2)13(20(4,15)16)12-10-8-7-9-11(12)3/h7-10H,5-6H2,1-4H3
InChIKeyOGPMKONAMPCVNE-UHFFFAOYSA-N
XLogP3.66
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[ethoxy(ethyl)phosphoryl] 2-methylbenzenesulfonate
CID 174621975
N-diethoxyphosphinothioyl-N-(2,4-dimethylphenyl)methanesulfonamide
CID 21311960
1-[ethoxy-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 23081831
N,N-diethoxy-2-methylaniline
CID 57156953
N-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide
CID 838647
2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068544
3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068540
N-(2-ethylsulfanylphenyl)-N-methylmethanesulfonamide
CID 152606349
N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide
CID 3953027
2-methyl-N-(2-methylphenyl)-N-phosphanylaniline
CID 158300974
1-[bromo(diethoxyphosphoryl)methyl]-2-methylbenzene
CID 54219475

Frequently Asked Questions

What is the IUPAC name of N-[ethoxy(ethylsulfanyl)phosphoryl]-N-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[ethoxy(ethylsulfanyl)phosphoryl]-N-(2-methylphenyl)methanesulfonamide (CID 21323760) is N-[ethoxy(ethylsulfanyl)phosphoryl]-N-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[ethoxy(ethylsulfanyl)phosphoryl]-N-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[ethoxy(ethylsulfanyl)phosphoryl]-N-(2-methylphenyl)methanesulfonamide is CCOP(=O)(SCC)N(c1ccccc1C)S(C)(=O)=O.
What is the InChIKey of N-[ethoxy(ethylsulfanyl)phosphoryl]-N-(2-methylphenyl)methanesulfonamide?
The InChIKey is OGPMKONAMPCVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO4PS2/c1-5-17-18(14,19-6-2)13(20(4,15)16)12-10-8-7-9-11(12)3/h7-10H,5-6H2,1-4H3.
What are the key properties of N-[ethoxy(ethylsulfanyl)phosphoryl]-N-(2-methylphenyl)methanesulfonamide?
N-[ethoxy(ethylsulfanyl)phosphoryl]-N-(2-methylphenyl)methanesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy(ethylsulfanyl)phosphoryl]-N-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 21323760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).