N-[(Z)-1-diethoxyphosphorylprop-1-enyl]-4-methyl-N-propylbenzenesulfonamide

C17H28NO5PS — CID 72736964

IUPACN-[(Z)-1-diethoxyphosphorylprop-1-enyl]-4-methyl-N-propylbenzenesulfonamide
SMILESC/C=C(/N(CCC)S(=O)(=O)c1ccc(C)cc1)P(=O)(OCC)OCC
InChIInChI=1S/C17H28NO5PS/c1-6-14-18(17(7-2)24(19,22-8-3)23-9-4)25(20,21)16-12-10-15(5)11-13-16/h7,10-13H,6,8-9,14H2,1-5H3/b17-7-
InChIKeyYPJUTAMWOOKKOT-IDUWFGFVSA-N
MW389.45 g/mol
LogP4.52
Rot. Bonds10

About N-[(Z)-1-diethoxyphosphorylprop-1-enyl]-4-methyl-N-propylbenzenesulfonamide

N-[(Z)-1-diethoxyphosphorylprop-1-enyl]-4-methyl-N-propylbenzenesulfonamide (PubChem CID 72736964) has the molecular formula C17H28NO5PS and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(Z)-1-diethoxyphosphorylprop-1-enyl]-4-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-diethoxyphosphorylprop-1-enyl]-4-methyl-N-propylbenzenesulfonamide
PubChem CID72736964
Molecular FormulaC17H28NO5PS
Molecular Weight389.45 g/mol
Exact Mass389.14
IUPAC NameN-[(Z)-1-diethoxyphosphorylprop-1-enyl]-4-methyl-N-propylbenzenesulfonamide
SMILESC/C=C(/N(CCC)S(=O)(=O)c1ccc(C)cc1)P(=O)(OCC)OCC
InChIInChI=1S/C17H28NO5PS/c1-6-14-18(17(7-2)24(19,22-8-3)23-9-4)25(20,21)16-12-10-15(5)11-13-16/h7,10-13H,6,8-9,14H2,1-5H3/b17-7-
InChIKeyYPJUTAMWOOKKOT-IDUWFGFVSA-N
XLogP4.52
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.52
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

1-(1-diethoxyphosphorylethenylsulfonyl)-4-methylbenzene
CID 23421835
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
1-butyl-1-(4-methylphenyl)sulfonylurea
CID 54549158
ethyl N-(3-methylbutyl)-N-(4-methylphenyl)sulfonylcarbamate
CID 163464803
N-ethynyl-4-methyl-N-propylbenzenesulfonamide
CID 12982566
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid
CID 10957350
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
ethyl 2-[butyl-(4-methylphenyl)sulfonylamino]acetate
CID 131719040
2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide
CID 17309433
4-(dipropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 4012286

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-diethoxyphosphorylprop-1-enyl]-4-methyl-N-propylbenzenesulfonamide?
The IUPAC name of N-[(Z)-1-diethoxyphosphorylprop-1-enyl]-4-methyl-N-propylbenzenesulfonamide (CID 72736964) is N-[(Z)-1-diethoxyphosphorylprop-1-enyl]-4-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-diethoxyphosphorylprop-1-enyl]-4-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-diethoxyphosphorylprop-1-enyl]-4-methyl-N-propylbenzenesulfonamide is C/C=C(/N(CCC)S(=O)(=O)c1ccc(C)cc1)P(=O)(OCC)OCC.
What is the InChIKey of N-[(Z)-1-diethoxyphosphorylprop-1-enyl]-4-methyl-N-propylbenzenesulfonamide?
The InChIKey is YPJUTAMWOOKKOT-IDUWFGFVSA-N. The full InChI is InChI=1S/C17H28NO5PS/c1-6-14-18(17(7-2)24(19,22-8-3)23-9-4)25(20,21)16-12-10-15(5)11-13-16/h7,10-13H,6,8-9,14H2,1-5H3/b17-7-.
What are the key properties of N-[(Z)-1-diethoxyphosphorylprop-1-enyl]-4-methyl-N-propylbenzenesulfonamide?
N-[(Z)-1-diethoxyphosphorylprop-1-enyl]-4-methyl-N-propylbenzenesulfonamide has a molecular weight of 389.45 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-diethoxyphosphorylprop-1-enyl]-4-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 72736964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).