N-(1-diethoxyphosphorylpropan-2-ylideneamino)-1-phenylmethanesulfonamide

C14H23N2O5PS — CID 141066817

IUPACN-(1-diethoxyphosphorylpropan-2-ylideneamino)-1-phenylmethanesulfonamide
SMILESCCOP(=O)(CC(C)=NNS(=O)(=O)Cc1ccccc1)OCC
InChIInChI=1S/C14H23N2O5PS/c1-4-20-22(17,21-5-2)11-13(3)15-16-23(18,19)12-14-9-7-6-8-10-14/h6-10,16H,4-5,11-12H2,1-3H3
InChIKeyBOMKYTYCPFGVBB-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.75
Rot. Bonds10

About N-(1-diethoxyphosphorylpropan-2-ylideneamino)-1-phenylmethanesulfonamide

N-(1-diethoxyphosphorylpropan-2-ylideneamino)-1-phenylmethanesulfonamide (PubChem CID 141066817) has the molecular formula C14H23N2O5PS and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(1-diethoxyphosphorylpropan-2-ylideneamino)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-diethoxyphosphorylpropan-2-ylideneamino)-1-phenylmethanesulfonamide
PubChem CID141066817
Molecular FormulaC14H23N2O5PS
Molecular Weight362.39 g/mol
Exact Mass362.11
IUPAC NameN-(1-diethoxyphosphorylpropan-2-ylideneamino)-1-phenylmethanesulfonamide
SMILESCCOP(=O)(CC(C)=NNS(=O)(=O)Cc1ccccc1)OCC
InChIInChI=1S/C14H23N2O5PS/c1-4-20-22(17,21-5-2)11-13(3)15-16-23(18,19)12-14-9-7-6-8-10-14/h6-10,16H,4-5,11-12H2,1-3H3
InChIKeyBOMKYTYCPFGVBB-UHFFFAOYSA-N
XLogP2.75
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N,N-dibenzyl-2-diethoxyphosphorylacetamide
CID 11100843
N-(methylideneamino)-1-phenylmethanesulfonamide
CID 141191936
N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide
CID 5333769
2-diethoxyphosphoryl-N-phenylacetamide
CID 12520780
1-phenyl-N-[(1,1,1-trifluoro-3-phenylpropan-2-ylidene)amino]methanesulfonamide
CID 137319141
2-diethoxyphosphorylethylbenzene
CID 3448525
2-(benzylsulfonylamino)-N,N-diethylacetamide
CID 47098437
N-[1-(2,4-dihydroxyphenyl)butylideneamino]-1-phenylmethanesulfonamide
CID 4572549
N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
CID 6024273
N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride
CID 23298000
(Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine
CID 129409647
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401

Frequently Asked Questions

What is the IUPAC name of N-(1-diethoxyphosphorylpropan-2-ylideneamino)-1-phenylmethanesulfonamide?
The IUPAC name of N-(1-diethoxyphosphorylpropan-2-ylideneamino)-1-phenylmethanesulfonamide (CID 141066817) is N-(1-diethoxyphosphorylpropan-2-ylideneamino)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(1-diethoxyphosphorylpropan-2-ylideneamino)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(1-diethoxyphosphorylpropan-2-ylideneamino)-1-phenylmethanesulfonamide is CCOP(=O)(CC(C)=NNS(=O)(=O)Cc1ccccc1)OCC.
What is the InChIKey of N-(1-diethoxyphosphorylpropan-2-ylideneamino)-1-phenylmethanesulfonamide?
The InChIKey is BOMKYTYCPFGVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N2O5PS/c1-4-20-22(17,21-5-2)11-13(3)15-16-23(18,19)12-14-9-7-6-8-10-14/h6-10,16H,4-5,11-12H2,1-3H3.
What are the key properties of N-(1-diethoxyphosphorylpropan-2-ylideneamino)-1-phenylmethanesulfonamide?
N-(1-diethoxyphosphorylpropan-2-ylideneamino)-1-phenylmethanesulfonamide has a molecular weight of 362.39 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-diethoxyphosphorylpropan-2-ylideneamino)-1-phenylmethanesulfonamide is sourced from PubChem (CID 141066817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).