N-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide

C17H28N2O4S — CID 20629503

IUPACN-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)NCCOCc1ccccc1
InChIInChI=1S/C17H28N2O4S/c1-15(2)24(21,22)19-11-7-6-10-17(20)18-12-13-23-14-16-8-4-3-5-9-16/h3-5,8-9,15,19H,6-7,10-14H2,1-2H3,(H,18,20)
InChIKeyOJGYEWZYTDXEQQ-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.82
Rot. Bonds12

About N-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide

N-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 20629503) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID20629503
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC NameN-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)NCCOCc1ccccc1
InChIInChI=1S/C17H28N2O4S/c1-15(2)24(21,22)19-11-7-6-10-17(20)18-12-13-23-14-16-8-4-3-5-9-16/h3-5,8-9,15,19H,6-7,10-14H2,1-2H3,(H,18,20)
InChIKeyOJGYEWZYTDXEQQ-UHFFFAOYSA-N
XLogP1.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylmethoxyethyl)octadecanamide
CID 3875168
5-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119234260
4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride
CID 120561833
N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide
CID 49381134
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
3-(3-phenylmethoxypropanoylamino)propanoic acid
CID 75417899
2,3-dimethyl-4-oxo-4-(3-phenylmethoxypropylamino)butanoic acid
CID 103496536
benzyl 2-(18-phenylmethoxyoctadecanoylamino)acetate;2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetic acid
CID 145339533
3-methyl-5-oxo-5-(3-phenylmethoxypropylamino)pentanoic acid
CID 62965038
2-hydroxy-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 111578044
3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
CID 100508752
7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide
CID 4178016

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide (CID 20629503) is N-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide is CC(C)S(=O)(=O)NCCCCC(=O)NCCOCc1ccccc1.
What is the InChIKey of N-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is OJGYEWZYTDXEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-15(2)24(21,22)19-11-7-6-10-17(20)18-12-13-23-14-16-8-4-3-5-9-16/h3-5,8-9,15,19H,6-7,10-14H2,1-2H3,(H,18,20).
What are the key properties of N-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide?
N-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 356.49 g/mol, XLogP of 1.82, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 20629503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).