N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide

C16H27N2O6PS — CID 3854038

IUPACN-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)CP(=O)(OCC)OCC)c1
InChIInChI=1S/C16H27N2O6PS/c1-4-7-11-17-26(21,22)15-10-8-9-14(12-15)18-16(19)13-25(20,23-5-2)24-6-3/h8-10,12,17H,4-7,11,13H2,1-3H3,(H,18,19)
InChIKeyOZONPDWUGRUWNR-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.97
Rot. Bonds12

About N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide

N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide (PubChem CID 3854038) has the molecular formula C16H27N2O6PS and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide
PubChem CID3854038
Molecular FormulaC16H27N2O6PS
Molecular Weight406.44 g/mol
Exact Mass406.13
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)CP(=O)(OCC)OCC)c1
InChIInChI=1S/C16H27N2O6PS/c1-4-7-11-17-26(21,22)15-10-8-9-14(12-15)18-16(19)13-25(20,23-5-2)24-6-3/h8-10,12,17H,4-7,11,13H2,1-3H3,(H,18,19)
InChIKeyOZONPDWUGRUWNR-UHFFFAOYSA-N
XLogP2.97
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8510926
2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide
CID 17482935
N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 24513463
N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 17419461
N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide
CID 38748493
N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26698637
2-diethoxyphosphoryl-N-phenylacetamide
CID 12520780
N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide
CID 24672448
N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide
CID 46547078
N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide
CID 126830291
N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 27992662
N-[3-(butylsulfamoyl)phenyl]isoquinoline-1-carboxamide
CID 47084317

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide (CID 3854038) is N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide is CCCCNS(=O)(=O)c1cccc(NC(=O)CP(=O)(OCC)OCC)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide?
The InChIKey is OZONPDWUGRUWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N2O6PS/c1-4-7-11-17-26(21,22)15-10-8-9-14(12-15)18-16(19)13-25(20,23-5-2)24-6-3/h8-10,12,17H,4-7,11,13H2,1-3H3,(H,18,19).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide?
N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide has a molecular weight of 406.44 g/mol, XLogP of 2.97, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide is sourced from PubChem (CID 3854038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).