N-[4-[[diethoxyphosphoryl(phenyl)methyl]sulfamoyl]phenyl]acetamide

C19H25N2O6PS — CID 74225952

IUPACN-[4-[[diethoxyphosphoryl(phenyl)methyl]sulfamoyl]phenyl]acetamide
SMILESCCOP(=O)(OCC)C(NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1
InChIInChI=1S/C19H25N2O6PS/c1-4-26-28(23,27-5-2)19(16-9-7-6-8-10-16)21-29(24,25)18-13-11-17(12-14-18)20-15(3)22/h6-14,19,21H,4-5H2,1-3H3,(H,20,22)
InChIKeyIAAYNGMYUBIXKS-UHFFFAOYSA-N
MW440.46 g/mol
LogP3.89
Rot. Bonds10

About N-[4-[[diethoxyphosphoryl(phenyl)methyl]sulfamoyl]phenyl]acetamide

N-[4-[[diethoxyphosphoryl(phenyl)methyl]sulfamoyl]phenyl]acetamide (PubChem CID 74225952) has the molecular formula C19H25N2O6PS and a molecular weight of 440.46 g/mol. Its IUPAC name is N-[4-[[diethoxyphosphoryl(phenyl)methyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[diethoxyphosphoryl(phenyl)methyl]sulfamoyl]phenyl]acetamide
PubChem CID74225952
Molecular FormulaC19H25N2O6PS
Molecular Weight440.46 g/mol
Exact Mass440.12
IUPAC NameN-[4-[[diethoxyphosphoryl(phenyl)methyl]sulfamoyl]phenyl]acetamide
SMILESCCOP(=O)(OCC)C(NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1
InChIInChI=1S/C19H25N2O6PS/c1-4-26-28(23,27-5-2)19(16-9-7-6-8-10-16)21-29(24,25)18-13-11-17(12-14-18)20-15(3)22/h6-14,19,21H,4-5H2,1-3H3,(H,20,22)
InChIKeyIAAYNGMYUBIXKS-UHFFFAOYSA-N
XLogP3.89
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422
2-chloro-N-[diethoxyphosphoryl(phenyl)methyl]benzenesulfonamide
CID 3701055
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate
CID 6942072
ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
CID 7112317
N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 78686932
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[4-[[(R)-(2-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 94027039
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide
CID 24513086
N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide
CID 14923152
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 983566
methyl (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
CID 40521531

Frequently Asked Questions

What is the IUPAC name of N-[4-[[diethoxyphosphoryl(phenyl)methyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[diethoxyphosphoryl(phenyl)methyl]sulfamoyl]phenyl]acetamide (CID 74225952) is N-[4-[[diethoxyphosphoryl(phenyl)methyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[diethoxyphosphoryl(phenyl)methyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[diethoxyphosphoryl(phenyl)methyl]sulfamoyl]phenyl]acetamide is CCOP(=O)(OCC)C(NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1.
What is the InChIKey of N-[4-[[diethoxyphosphoryl(phenyl)methyl]sulfamoyl]phenyl]acetamide?
The InChIKey is IAAYNGMYUBIXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N2O6PS/c1-4-26-28(23,27-5-2)19(16-9-7-6-8-10-16)21-29(24,25)18-13-11-17(12-14-18)20-15(3)22/h6-14,19,21H,4-5H2,1-3H3,(H,20,22).
What are the key properties of N-[4-[[diethoxyphosphoryl(phenyl)methyl]sulfamoyl]phenyl]acetamide?
N-[4-[[diethoxyphosphoryl(phenyl)methyl]sulfamoyl]phenyl]acetamide has a molecular weight of 440.46 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[diethoxyphosphoryl(phenyl)methyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 74225952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).